121-87-9 structure, C6H5ClN2O2
2-Chloro-4-nitroaniline
CAS No.: 121-87-9 Formula: C6H5ClN2O2 Molecular Weight: 172.56900
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2-Chloro-4-nitroaniline

CAS No.:

121-87-9

Formula:

C6H5ClN2O2

Molecular Weight: 172.56900
Suppliers: All (48) China Suppliers (48) Price Available (11) Contractor (5)

Numbering system

MDL number MFCD00007665
EINECS number 204-502-2
BRN number 638657
RTECS number BX1400000
PubChem number 24846548

Properties

Appearance & Physical State

yellow amorphous powder

Density

1.494 g/cm3

Boiling Point

326.2ºC at 760 mmHg

Melting Point

107-110ºC

Flash Point

205ºC

Refractive Index

1.646

Water Solubility

0.23 g/L (20 ºC)

Stability

Stable. Incompatible with strong oxidizing agents, strong bases, strong acids.

Storage Condition

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure

0mmHg at 25°C

Safety Info

RTECS

BX1400000

Hazard Class

6.1(b)

Safety Statements

S22-S24-S61

HS Code

2921420090

WGK Germany

2

Packing Group

III

RIDADR

UN 2237

Risk Statements

R22; R51/53

Hazard Codes

Xn

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 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Chloro-4-nitroaniline

1.2 Other means of identification

Product number -
Other names ocpn

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 4

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H411 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.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P391 Collect spillage.

Storage

none

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-Chloro-4-nitroaniline 2-Chloro-4-nitroaniline 121-87-9 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. Refer for medical attention. See Notes.

In case of skin contact

Rinse skin with plenty of water or shower.

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

Rest. Refer for medical attention . See Notes.

4.2 Most important symptoms/effects, acute and delayed

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. 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)

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

IN ALL CASES CONSULT A DOCTOR. INHALATION: Symptoms: Blue skin. Blue lips or finger nails. Dizziness. Headache. Nausea. Shortness of breath. Confusion. Convulsions. Unconsciousness. Symptoms may be delayed. First aid: Fresh air, rest. Refer for medical attention. SKIN: Symptoms: Redness. First aid: Remove contaminated clothes. Rinse skin with plenty of water or shower. EYES: Symptoms: Redness. Pain. First aid: First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor. INGESTION: Symptoms: Blue skin. Blue lips or finger nails. Dizziness. Headache. Nausea. Shortness of breath. Confusion. Convulsions. Unconsciousness. Symptoms may be delayed. First aid: Rest. Refer for medical attention.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Powder, alcohol-resistant foam, water spray, carbon dioxide.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2016)

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: P2 filter respirator for harmful particles. Do NOT let this chemical enter the environment. 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.

6.3 Methods and materials for containment and cleaning up

Sweep spilled substance into containers; if appropriate, moisten first to prevent dusting. Carefully collect remainder, then remove to safe place. (Extra personal protection: P2 filter respirator for harmful particles). Do NOT let this chemical enter the environment.

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 food and feedstuffs.

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 amorphous powder
Colour Yellow needles from water
Odour no data available
Melting point/ freezing point 98°C(lit.)
Boiling point or initial boiling point and boiling range 200°C(lit.)
Flammability Combustible.
Lower and upper explosion limit / flammability limit no data available
Flash point 40°C(lit.)
Auto-ignition temperature 522°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:0.23 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 2.14
Vapour pressure 0mmHg at 25°C
Density and/or relative density 1.494 g/cm3
Relative vapour density no data available
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

2-CHLORO-4-NITROANILINE can react with oxidizing materials.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

The substance decomposes on burning producing toxic and corrosive gases, including nitrogen oxides.

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 1250 mg/kg bw
  • 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/) ca. 12.5 mg/L/96 hr; static, freshwater.
  • Toxicity to daphnia and other aquatic invertebrates: EC50 Daphnia magna (/water flea/) 10-18 mg/L/48 hr; immobilization.
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: The biodegradability of 2-chloro-4-nitroaniline was measured using both the semistatic OECD test and the dynamic system, Pitter test. 2-Chloro-4-nitroaniline is considered non-biodegradable (half-life of much greater than 4 weeks) using both non-adapted and adapted inoculum for both tests(1). Using a modification of the Pitter test where the first step is an acclimation of a mixed microbial population to 2-chloro-4-nitroaniline (at 25 mg/L) in a semi-continuous activated sludge system followed by a die-away test in closed flasks, only a slight amount of degradation occurred. The initial inoculum was a 1:1 mixture of activated sludge from a domestic sewage plant and a solution containing organic material extracted from river mud. In the semi-continuous activated sludge system, 80% of the added 2-chloro-4-nitroaniline was still present after 17 days using both the mixed inoculum and an activated sewage sludge(2). 2-Chloro-4-nitroaniline is regarded as non-biodegradable in the aquatic environment as well as in communal and industrial sewage treatment plants(2).

12.3 Bioaccumulative potential

An estimated BCF of 9 was calculated in fish for 2-chloro-4-nitroaniline(SRC), using a log Kow of 2.14(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of 2-chloro-4-nitroaniline is estimated as 350(SRC), using a log Kow of 2.14(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-chloro-4-nitroaniline is expected to moderate mobility in soil. However, anilines are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(4,5), suggesting that mobility may be much lower in some soils(SRC). The log Koc of 2-chloro-4-nitroaniline was measured as 2.36 in Yangtze river sediment (37.1% sand, 49.3% silt, 13.6% clay, 1.28% organic carbon, pH 7.44)(1). The log Koc was also measured as 3.63 in modified clay(6). These values correspond to Koc values of 230 and 4300, respectively(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: UN2237 IMDG: UN2237 IATA: UN2237

14.2 UN Proper Shipping Name

ADR/RID: CHLORONITROANILINES
IMDG: CHLORONITROANILINES
IATA: CHLORONITROANILINES

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
2-Chloro-4-nitroaniline 2-Chloro-4-nitroaniline 121-87-9 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 10, 2017
Revision Date Aug 10, 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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121-87-9 NMR spectrum
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Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 6430 mg/kg 1.Details of toxic effects not reported other than lethal dose value
Oral LD50 - Lethal dose, 50 percent kill Rodent - mouse 1250 mg/kg 1.Details of toxic effects not reported other than lethal dose value
Intraperitoneal LDLo - Lowest published lethal dose Rodent - mouse 500 mg/kg 1.Behavioral-changes in motor activity (specific assay)
2.Lungs, Thorax, or Respiration-dyspnea
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