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HomeProduct name list4-Chloro-3-nitroaniline

4-Chloro-3-nitroaniline

Synonym(s):4-Amino-1-chloro-2-nitrobenzene

  • CAS NO.:635-22-3
  • Empirical Formula: C6H5ClN2O2
  • Molecular Weight: 172.57
  • MDL number: MFCD00007844
  • EINECS: 211-231-3
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-01-02 10:32:02
4-Chloro-3-nitroaniline  Structural

What is 4-Chloro-3-nitroaniline ?

Chemical properties

ochre powder

The Uses of 4-Chloro-3-nitroaniline

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

What are the applications of 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.

Properties of 4-Chloro-3-nitroaniline

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
form  powder to crystal
pka 1.87±0.10(Predicted)
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
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 for 4-Chloro-3-nitroaniline

Signal word Danger
Pictogram(s)
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
Exclamation Mark
Irritant
GHS07
ghs
Health Hazard
GHS08
ghs
Environment
GHS09
GHS Hazard Statements H300:Acute toxicity,oral
H310:Acute toxicity,dermal
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H330:Acute toxicity,inhalation
H373:Specific target organ toxicity, repeated exposure
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P262:Do not get in eyes, on skin, or on clothing.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P284:Wear respiratory protection.
P314:Get medical advice/attention if you feel unwell.
P320:Specific treatment is urgent (see … on this label).
P330:Rinse mouth.
P391:Collect spillage. Hazardous to the aquatic environment
P302+P350:IF ON SKIN: Gently wash with plenty of soap and water.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.
P501:Dispose of contents/container to..…

Computed Descriptors for 4-Chloro-3-nitroaniline

InChIKey FOHHWGVAOVDVLP-UHFFFAOYSA-N
SMILES C1(N)=CC=C(Cl)C([N+]([O-])=O)=C1

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