99-65-0 structure, C6H4N2O4
1,3-dinitrobenzene
CAS No.: 99-65-0 Formula: C6H4N2O4 Molecular Weight: 168.10700
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1,3-dinitrobenzene

CAS No.:

99-65-0

Formula:

C6H4N2O4

Molecular Weight: 168.10700
Suppliers: All (38) China Suppliers (38) Price Available (12) Contractor (4)

Description

1,3-Dinitrobenzene is used as an analyte to detect explosive environments.

Numbering system

EINECS number 202-776-8
MDL number MFCD00007222

Properties

Appearance & Physical State

Yellow solid with a slight odor.

Density

1.575

Boiling Point

297ºC

Melting Point

86-90ºC

Flash Point

150ºC

Refractive Index

1.612

Water Solubility

500 mg/L (20 ºC)

Stability

Stable. Incompatible with reducing agents, oxidizing agents, strong bases. May explode if heated.

Storage Condition

2-8ºC

Safety Info

RTECS

CZ7350000

Hazard Class

6.1

Safety Statements

S28-S36/37-S45-S60-S61

HS Code

2904209090

Packing Group

II

WGK Germany

3

RIDADR

UN 3443

Risk Statements

R26/27/28; R33; R50/53

Hazard Codes

T+; N

Caution Statement

P260; P262; P280; P302 + P352 + P310; P304 + P340 + P310

Symbol

GHS06, GHS08, GHS09

Signal Word

Danger

Hazard Declaration

H300 + H310 + H330; H373; H410

SDS 1.0

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SDS 1.0

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3-dinitrobenzene

1.2 Other means of identification

Product number -
Other names m-Dinitrobenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 2

Acute toxicity - Dermal, Category 1

Acute toxicity - Inhalation, Category 2

Specific target organ toxicity – repeated exposure, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H300 Fatal if swallowed

H310 Fatal in contact with skin

H330 Fatal if inhaled

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P262 Do not get in eyes, on skin, or on clothing.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P310 Immediately call a POISON CENTER/doctor/…

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P320 Specific treatment is urgent (see ... on this label).

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
1,3-dinitrobenzene 1,3-dinitrobenzene 99-65-0 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Give a slurry of activated charcoal in water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)

Inhalation or ingestion causes loss of color, nausea, headache, dizziness, drowsiness, and collapse. Eyes are irritated by liquid. Stains skin yellow; if contact is prolonged, can be absorbed into blood and cause same symptoms as for inhalation. (USCG, 1999)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patent can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aniline and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fire Fighting Respirator: Self-contained breathing apparatus with a full facepiece operated in pressure-demand or other positive pressure mode.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: Combustible material: may burn but does not ignite readily. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2016)

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: Combustible material: may burn but does not ignite readily. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2016)

Behavior in Fire: May explode (USCG, 1999)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Consult an expert! Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment. Personal protection: complete protective clothing including self-contained breathing apparatus.

6.3 Methods and materials for containment and cleaning up

1. Remove all ignition sources. 2. Ventilate area of spill. 3. For small quantities, sweep onto paper or other suitable material & burn in a suitable combustion chamber which allows burning in an unconfined condition & is equipped with an appropriate effluent gas cleaning device. Large quantities may be reclaimed; however, if this is not practical, dissolve in fuel oil & atomize in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Separated from strong oxidants, strong bases and food and feedstuffs. See Chemical Dangers.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 1 mg/cu m, skin.

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state Yellow solid with a slight odor.
Colour Yellowish crystals
Odour no data available
Melting point/ freezing point -61°C(lit.)
Boiling point or initial boiling point and boiling range 297°C(lit.)
Flammability Combustible SolidCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 150°C
Auto-ignition temperature 470°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:500 mg/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow= 1.49
Vapour pressure 2X10-4 mm Hg @ 25°C
Density and/or relative density 1.368g/mLat 25°C(lit.)
Relative vapour density 5.8 (air= 1 at boiling point of dinitrobenzene) /Dinitrobenzene, all isomers/
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

CombustibleDust explosion possible if in powder or granular form, mixed with air.Dust explosion possible if in powder or granular form, mixed with air.DINITROBENZENE SOLUTION may react vigorously with oxidizing materials. Reaction with nitric acid (nitration) leads to a mixture of trinitrobenzenes possessing high-explosive properties [Urbanski, 1967, vol. 3, p. 290]. If heat and reaction conditions of the nitration are not controlled, detonation comparable to that of TNT may occur [Anon., J. R. Inst. Chem., 1960, 84, p. 451]. A mixture of 1,3-dinitrobenzene with tetranitromethane can be highly explosive [Urbanski, 1964, vol. 1, 592]. 1,2-dinitrobenzene is a severe explosion hazard when shocked or exposed to heat or flame.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Mixture with nitric acid is a high explosive. Mixture with tetranitromethane is a high explosive very sensitive to sparks.

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral as a 1% suspension in corn oil 83 mg/kg with fiducial limits 56-124 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

CLASSIFICATION: D; not classifiable as to human carcinogenicity. BASIS FOR CLASSIFICATION: Based on no data in humans and animals. HUMAN CARCINOGENICITY DATA: None. ANIMAL CARCINOGENICITY DATA: None.

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

Anaerobic and aerobic incubation of 1,3-dinitrobenzene with sewage effluent at 29°C resulted in about 85% and 40% degradation after 28 days, respectively(1). The products of the anaerobic incubations were aromatic amines while under aerobic conditions, ring cleavage and possible mineralization of 1,3-dinitrobenzene occurred(1). More than 64 days were required to achieve a total loss of 1,3-dinitrobenzene when incubated with Niagara silt loam inoculum at 25°C(2). Microorganisms isolated from the Tennessee River near a munitions production facility were shown to biodegrade 1,3-dinitrobenzene(3). At 1X10+6 microorganisms/mL and 25°C, the half-life of 1,3-dinitrobenzene in river water samples and enrichment cultures were 1 and 9.7 days, respectively(3). However, 1,3-dinitrobenzene did not biodegrade in pristine river and creek water from Maryland, suggesting that microbial adaptation is necessary for degradation to occur(3). After 3 hr incubation at 30°C with phenol adapted bacteria from soil and related environments, 75% of the initial amount of 1,3-dinitrobenzene was degraded(4). Dinitrobenzene (isomer not specified), present at 100 mg/l, reached 0 percent of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(5), suggesting biodegradation occurs slowly(SRC).

12.3 Bioaccumulative potential

A BCF value of 75 was measured for 1,3-dinitrobenzene in fish(1). BCF values of 2-38 were measured in carp exposed to dinitrobenzene (isomer not specified) over a 6 week incubation period(2). According to a classification scheme(3), this BCF value suggest bioconcentration in aquatic organisms is low to moderate(SRC).

12.4 Mobility in soil

The Koc of 1,3-dinitrobenzene is estimated as 150(SRC), using a measured log Kow of 1.49(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,3-dinitrobenzene is expected to have high mobility in soil. It has been shown that nitrophenols and nitrobenzenes adsorb strongly to clay through an interaction between the nitro group and the water molecules or metallic cations in the clay(4), and 1,3-dinitrobenzene is expected to similarly bind to clays(SRC). The adsorption of 1,3-dinitrobenzene was studied in montmorillonite, clay and an adsorption coefficient of 4,500 L/kg was measured(5).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN3443 IMDG: UN3443 IATA: UN3443

14.2 UN Proper Shipping Name

ADR/RID: DINITROBENZENES, SOLID
IMDG: DINITROBENZENES, SOLID
IATA: DINITROBENZENES, SOLID

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
1,3-dinitrobenzene 1,3-dinitrobenzene 99-65-0 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

MSDS

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1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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99-65-0 NMR spectrum
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GC Analysis

Total 4 Documents >>
Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
Packed SE-30 150. 1400. isothermal
Capillary DB-5MS - 247.64 temperature ramp
Capillary DB-5MS - 247.45 temperature ramp
Capillary DB-5MS - 248.35 temperature ramp
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