4-Nitroaniline
CAS No.: 100-01-6 Formula: C6H6N2O2 Molecular Weight: 138.12400
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4-Nitroaniline

CAS No.: 100-01-6 Formula: C6H6N2O2 Molecular Weight: 138.12400
Suppliers: All (71) China Suppliers (71) Price Available (9) Contractor (1)

Description

4-Nitroaniline is used in the synthesis of photorefractive polymers, as novel chromophores in analytical study. As well, due to the absorption spectrum associated with 4-Nitroaniline, it is used to determine catechol derivatives in syntheses.

Basic Info

Chemical Name 4-Nitroaniline
Synonyms

PNA; Devol Red GG; p-aminonitrobenzene; 4-NO2-aniline; +Kitronnilin; 4-nitro-aniline; 4-nitro-benzenamine; red2gbase; Developer P; Benzenamine, 4-nitro-; 4-nitroaniline; 1-amino-4-nitrobenzene; Expand

CAS No. 100-01-6
Molecular Formula C6H6N2O2
Molecular Weight 138.12400
PSA 71.84000
LogP 2.28140

Numbering system

MDL number MFCD00007858
EINECS number 202-810-1
RTECS number BY7000000
BRN number 508690

Properties

Appearance & Physical State yellow solid with a mild odor
Density 1.437
Boiling Point 332ºC
Melting Point 147-151ºC
Flash Point 199ºC
Refractive Index 1.5401 (160ºC)
Water Solubility 0.8 g/L (20 ºC)
Stability Stable. Incompatible with sodium hydroxide, strong oxidizing agents, strong reducing agents. May attack some plastics, rubber and coatings. May decompose explosively in the presence of initiators. Moisture sensitive. May be light and air-sensitive.
Storage Condition Store at R.T.
Vapor Pressure 0mmHg at 25°C

Safety Info

RTECS BY7000000
Hazard Class 6.1
Safety Statements S28-S36/37-S45-S61
HS Code 2921420090
WGK Germany 2
Packing Group II
RIDADR UN 1661
Risk Statements R23/24/25; R33; R52/53
Hazard Codes T
Symbol GHS06, GHS08
Caution Statement P261; P273; P280; P301 + P310; P311
Hazard Declaration H301 + H311 + H331; H373; H412
Signal Word Danger
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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 4-nitroaniline

1.2 Other means of identification

Product number -
Other names 1-amino-4-nitrobenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Intermediates
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

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
4-nitroaniline 4-nitroaniline 100-01-6 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, drowsiness, shortness of breath, nausea, methemoglobinemia, and unconsciousness; fingernails, lips, and ears become bluish; prolonged and excessive exposures may also cause liver damage. Contact with eyes causes irritation and possible corneal damage. Contact with 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

This chemical is a combustible solid. Use dry chemical, carbon dioxide, water spray, or alcohol foam extinguishers. Poisonous gases including sulfur dioxide and nitrogen oxides are produced in fire. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position. If employees are expected to fight fires, they must be trained and equipped in OSHA 1910.156.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Toxic oxides of nitrogen may form in fire. Behavior in Fire: Melts and burns (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. Wash away remainder with plenty of water.

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. Dry.Store in a cool, dry, well-ventilated location. Separate from acids, oxidizing materials, & reducing agents.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 3 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 mild odor
Colour Pale yellow monoclinic crystals from water
Odour Faint ammonia; slightly pungent
Melting point/ freezing point 147-151ºC
Boiling point or initial boiling point and boiling range 260°C/100mmHg(lit.)
Flammability Combustible SolidCombustible. Many reactions may cause fire or explosion.
Lower and upper explosion limit / flammability limit no data available
Flash point 213°C
Auto-ignition temperature 180°C
Decomposition temperature no data available
pH pH = 6.7
Kinematic viscosity no data available
Solubility In water:0.8 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 1.39
Vapour pressure 0mmHg at 25°C
Density and/or relative density 1.437
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

Combustible when exposed to heat or flame.Dust explosion possible if in powder or granular form, mixed with air.P-NITROANILINE may react vigorously with sulfuric acid above 200°C. It may also react with sodium hydroxide at 130°C. Under pressure, it may produce an explosive compound. It is incompatible with strong oxidizers and strong reducing agents. It is capable of explosive decomposition with strong initiators. It will attack some forms of plastics, rubber and coatings.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

An ammonical soln of 4-nitroaniline containing ammonium chloride was being treated with 50% sodium hydroxide soln to displace ammonia. In error, double the amt required to give usual 10% of free alkali was added, & during subsequent degassing operation (heating to 130°C under pressure, followed by depressuring to vent ammonia), complete conversion to sodium 4-nitrophenoxide occurred. ... /When/ separated by centrifuging, it was then heated to dry ... when it decomposed violently & was ejected through the vessel opening. ... Some of the tautomeric aci-nitroquinonoid salt may have been produced during the drying operation.

10.6 Hazardous decomposition products

Explosive decomposition may occur under fire conditions.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Guinea pig oral 450 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

A4; Not classifiable as a human carcinogen.

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; Species: Danio rerio (Zebra danio, age 3 months, weight 200-350 mg); Conditions: freshwater, renewal, 26.5°C, pH 8.6, dissolved oxygen 85%; Concentration: 908 umol/L for 96 hr
  • Toxicity to daphnia and other aquatic invertebrates: LC50; Species: Daphnia magna (Water flea age < or =24 hr); Conditions: freshwater, static, 20-22°C, pH 7.6-7.7, hardness 16 dH; Concentration: 24 mg/L for 24 hr
  • Toxicity to algae: EC50 Chlorella vulgaris (Algae) 350.14 mg/L/6 hr; biomass.
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

P-NITROANILINE AT CONCN 250-1000 MG/L WAS DEGRADED BY A MIXT OF PSEUDOMONAS FLUORESCENS & BACILLUS VALINOVORUS.

12.3 Bioaccumulative potential

In a 6-week bioconcentration test, the BCF of 4-nitroaniline was 2.9-3.6 at a concentration of 0.5 mg/L and <10 at a concentration of 0.05 mg/L(1). In a bioconcentration study using zebrafish and a 4-nitroaniline concentration of 0.21 umol/L, the BCF was measured to be 4.4(2). According to a classification scheme(3), these experimental BCF values suggest bioconcentration in aquatic organisms is low (SRC).

12.4 Mobility in soil

4-Nitroaniline has measured log Koc values of 1.78(1) and 1.88(2) and log Kom values of 1.49(3) and 1.64(4). These values correspond to Koc values of 60, 76, 54 and 75, respectively. 4-Nitroaniline has also been observed to have a Koc of 87(5). According to a classification scheme(6), these Koc values suggest that 4-nitroaniline is expected to have high mobility in soil. 4-Nitroaniline was found to have a Kd value of 13.5 L/kg in homoionic K+ Montmorillonite type soil(7). However, anilines are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(8,9), suggesting that mobility may be much lower in some soils(SRC). 4-Nitroaniline had small and scattered amounts of irreversible binding over a 20 hour experiment(10).

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
4-nitroaniline 4-nitroaniline 100-01-6 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 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 Expand
1H NMR : 90 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 90 MHz in CDCl3

Collapse

C6 H6 N2 O2 0.041 g : 0.5 ml CDCl3
p-nitroaniline

Assign. Shift(ppm)
A 7.972
B 6.71
C 6.64

IR : nujol mullExpand
Mass spectrum (electron ionization)Expand
Raman : 4880 A,200 M,powderExpand
ESR : ANION RADICAL(13C), ELECTRORED. IN DMFExpand
UV/Visible spectrumExpand
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 750 mg/kg 1.Details of toxic effects not reported other than lethal dose value
Intraperitoneal LDLo - Lowest published lethal dose Rodent - rat 600 mg/kg 1.Details of toxic effects not reported other than lethal dose value
Oral LD50 - Lethal dose, 50 percent kill Rodent - mouse 810 mg/kg 1.Details of toxic effects not reported other than lethal dose value
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