4-Chloro-3-nitroaniline Chemical Properties

Melting point:

99-101 °C (lit.)

Boiling point:

200°C (rough estimate)

Density 

1.5610 (rough estimate)

refractive index 

1.5870 (estimate)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

pka

1.87±0.10(Predicted)

form 

powder to crystal

color 

White to Yellow to Orange

BRN 

1309394

InChI

InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2

InChIKey

FOHHWGVAOVDVLP-UHFFFAOYSA-N

SMILES

C1(N)=CC=C(Cl)C([N+]([O-])=O)=C1

CAS DataBase Reference

635-22-3(CAS DataBase Reference)

NIST Chemistry Reference

Benzenamine, 4-chloro-3-nitro-(635-22-3)

EPA Substance Registry System

4-Chloro-3-nitroaniline (635-22-3)

Safety Information

Hazard Codes 

T+,N,T

Risk Statements 

26/27/28-33-51/53

Safety Statements 

28-36/37-45-61-28A

RIDADR 

UN 2237 6.1/PG 3

WGK Germany 

3

RTECS 

BX1750000

Hazard Note 

Very Toxic

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29214210

Hazardous Substances Data

635-22-3(Hazardous Substances Data)

MSDS

• Language:English Provider:5-Amino-2-chloronitrobenzene
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Chloro-3-nitroaniline Usage And Synthesis

Chemical Properties

ochre powder

Uses

Intermediate in the manufacture of azo dyes, pharmaceuticals, and other organic compounds.

Application

Commercial 4-chloro-3-nitroaniline could be used as a starting material for 3-azido-4-chlorophenylisothiocyanate through a 5-step synthesis. In order to research the impact of the strain on the metabolite profile of plasma samples in rats, 45 mg/kg bw/day 4-chloro-3-nitroaniline (4C3N) was evaluated for 4 weeks. 4C3N administration led to extravascular hemolytic anemia with a few metabolome changes, which were strain-dependent [1-2].

Hazard

Toxic by ingestion and inhalation.

Safety Profile

Poison by ingestion and intraperitoneal routes. Experimental reproductive effects. Skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx and Cl-.

References

[1] H. Lamotte. “Synthesis of N‐(3‐azido‐4‐chlorophenyl)‐N′‐[3H‐methyl] thiourea, an efficient photoaffinity probe for the urea carrier.” Journal of Labelled Compounds and Radiopharmaceuticals 42 1 (1994): 289–295.
[2] O’Donoghue, John L. “Subchronic oral toxicology of 4-chloro-3-nitroaniline in the rat.” Fundamental and Applied Toxicology 6 3 (1986): Pages 551-558.

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