88-74-4 structure, C6H6N2O2
2-Nitroaniline
CAS No.: 88-74-4 Formula: C6H6N2O2 Molecular Weight: 138.12400
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2-Nitroaniline

CAS No.:

88-74-4

Formula:

C6H6N2O2

Molecular Weight: 138.12400
Suppliers: All (54) China Suppliers (53) Price Available (10) Contractor (4)

Description

2-Nitroaniline is an organic chemical compound that is chemically described as an aniline carrying a nitro functional group in position 2. It is also classified as an aromatic amine. At ambient temperature and pressure, 2-nitroaniline is an orange solid.

Numbering system

EINECS number 201-855-4
MDL number MFCD00007687

Properties

Appearance & Physical State

yellow orange crystals.

Density

1.442

Boiling Point

284ºC

Melting Point

70-74ºC

Flash Point

168ºC

Refractive Index

1.5362 (100ºC)

Water Solubility

1.1 g/L (20 ºC)

Stability

Stable. Incompatible with acids, acid chlorides, acid anhydrides, strong oxidizing agents, chloroformates, hexanitroethane.

Storage Condition

2-8ºC

Safety Info

RTECS

BY6650000

Hazard Class

6.1

Safety Statements

S28-S36/37-S45-S61

HS Code

2921420090

Packing Group

II

WGK Germany

2

RIDADR

UN 1661

Risk Statements

R23/24/25; R33; R52/53

Hazard Codes

T

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 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-nitroaniline

1.2 Other means of identification

Product number -
Other names o-Nitraniline

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 3

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity – repeated exposure, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H331 Toxic if inhaled

H373 May cause damage to organs through prolonged or repeated exposure

H412 Harmful 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.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

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

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

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/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

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.

P311 Call a POISON CENTER/doctor/…

P314 Get medical advice/attention if you feel unwell.

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
2-nitroaniline 2-nitroaniline 88-74-4 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 skin with plenty of water or shower. 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

Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Inhalation or ingestion causes headache, nausea, methemo- globinemia, vomiting, weakness, and stupor; cyanosis caused by contact usually develops in 4-6 hrs.; prolonged and excessive exposure may also cause liver damage. Contact with eyes or skin causes irritation; continued exposure may cause same symptoms as inhalation or ingestion. (USCG, 1999)

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

INHALATION: Fresh air, rest. Artificial respiration if indicated. Refer for medical attention. SKIN: Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention. EYES: First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Extinguish with water, dry chemicals, foam or carbon dioxide.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Toxic oxides of nitrogen may form in fire. (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

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder.

6.3 Methods and materials for containment and cleaning up

1. Ventilate area of spill. 2. For small quantities, sweep onto paper or other suitable material, place in an appropriate container & burn in a safe place (such as a fume hood). Large quantities may be reclaimed; however, if this is not practical, dissolve in a flammable solvent (such as alcohol) & 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 acids, strong oxidants, combustible substances, reducing agents and food and feedstuffs.Protect against physical damage to containers and prevent from moisture contacts.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

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 orange crystals.
Colour Yellow-orange crystals from boiling water
Odour Musty
Melting point/ freezing point 70-74ºC
Boiling point or initial boiling point and boiling range 284ºC
Flammability Combustible. Many reactions may cause fire or explosion.
Lower and upper explosion limit / flammability limit no data available
Flash point 168ºC
Auto-ignition temperature 521.11°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:1.1 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 1.85
Vapour pressure 1 mm Hg at 104°C ; <0.1 mm Hg at 30°C
Density and/or relative density 1.442
Relative vapour density 4.77 (Relative to Air)
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

SLIGHT, WHEN EXPOSED TO HEAT OR FLAME.Dust explosion possible if in powder or granular form, mixed with air.O-NITROANILINE may be sensitive to prolonged exposure to light. Mixtures of this chemical with magnesium are hypergolic on contact with nitric acid. It forms extremely explosive addition compounds with hexanitroethane. It has a vigorous reaction with sulfuric acid above 200°C. It is incompatible with acids, acid chlorides, acid anhydrides, chloroformates and strong oxidizers.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Forms extremely explosive addition compounds with hexanitroethane. Vigorous reaction with sulfuric acid above 200°C.

10.6 Hazardous decomposition products

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

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral, Sprague Dawley (M & F), 2050 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

no data available

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: LC50 Brachydanio rerio (/Zebrafish/, age about 3 months, weight 200-350 mg) 19.5 mg/L/96 hr; semistatic, freshwater; 26.5°C, pH 8.6, dissolved oxygen 85%.
  • Toxicity to daphnia and other aquatic invertebrates: EC50 Daphnia magna (/water flea/) 8.3 mg/L/24 hr; static; immobilization.
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: In a 2 week closed bottle biodegradation test, using 100 mg/L substrate and 30 mg/L sludge, 2-nitroaniline had a theoretical BOD of 0%(1). Degradation in a soil mineral salts suspension took greater than 64 days as determined by 100% loss of UV absorbance(2). A 16% BOD threshold was measured with a Warburg respirometer using aniline-acclimated activated sludge(3). A 0% removal (based on chemical oxygen demand) was measured in a batch system using activated sludge and a 5-day incubation period(4). Biological degradation in an electrolytic respirometer using activated sludge was in excess of 10 days(5). 2-Nitroaniline was not biodegradable in an electrolytic respirometer study, although 4-nitroaniline was found to be biodegradable using the same test conditions(6). Aerobic incubation of 2-nitroaniline in a rotary shaker using sewage inocula for 52 days resulted in a maximum loss of 15% as measured by UV absorbance loss(7). A 20-day study using uniformly ring-labeled 2-nitroaniline had a 14-carbon dioxide evolution of 1.9%, measured from laboratory flask system containing a silt loam soil media(8); 14-carbon dioxide evolution was less than 0.3% from the same soil system which had been sterilized with sodium azide(8). 2-Nitroaniline had a biodegradation rate of 0.023/hr in river water giving a half-life of 31 hours, which was classified as poor degradation(9). A 5 day BOD at 20°C in Songhua river water was -5% for 2-nitroaniline(10).

12.3 Bioaccumulative potential

A 6 week bioconcentration study obtained BCF values of 2.1-4.9 and <10 for concentrations of 2- nitroaniline of 0.5 and 0.05 mg/L, respectively(1). An aquarium study using carp fish found 2-nitroaniline to have a low bioaccumulation potential(2). A study using zebrafish experimentally determined the BCF for 2-nitroaniline to be 8.1(3). According to a classification scheme(4), these BCF values suggest bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The log Koc of 2-nitroaniline was measured as 1.77 giving a Koc of 59(1). According to a classification scheme(2), this Koc value suggests that 2-nitroaniline is expected to have high mobility in soil. 2-Nitroaniline was found to have a Kd value of 8.4 L/kg in homoionic K+ Montmorillonite type soil(3). However, anilines are expected to bind strongly to humus or organic matter in soils due to high reactivity of the aromatic amine group(4,5), suggesting that mobility may be much lower in some soils(SRC).

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: UN1661 IMDG: UN1661 IATA: UN1661

14.2 UN Proper Shipping Name

ADR/RID: NITROANILINES (o-, m-, p-)
IMDG: NITROANILINES (o-, m-, p-)
IATA: NITROANILINES (o-, m-, p-)

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: no IMDG: no IATA: no

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
2-nitroaniline 2-nitroaniline 88-74-4 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 Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 20, 2017
Revision Date Aug 20, 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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88-74-4 NMR spectrum
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GC Analysis

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Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
Packed SE-30 180. 1402. isothermal
Capillary DB-5 - 241.1 temperature ramp
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