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4-Chloro-3-nitroaniline

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CAS:635-22-3
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CAS:635-22-3
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4-Chloro-3-nitroaniline Basic information
Product Name:4-Chloro-3-nitroaniline
Synonyms:4-chloro-3-nitro-benzenamin;Aniline, 4-chloro-3-nitro-;benzenamine,-chloro-3-nitro-;5-Amino-2-chloronitrobenzene;4-AMINO-1-CHLORO-2-NITROBENZENE;4-Chloro-3-nitrobenzenamine;4-CHLORO-3-NITROANILINE;3-NITRO-4-CHLOROANILINE
CAS:635-22-3
MF:C6H5ClN2O2
MW:172.57
EINECS:211-231-3
Product Categories:Amines;Building Blocks;C6;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Aromatics Compounds;Intermediates of Dyes and Pigments
Mol File:635-22-3.mol
4-Chloro-3-nitroaniline Structure
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
pka1.87±0.10(Predicted)
form powder to crystal
color White to Yellow to Orange
BRN 1309394
InChIInChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
InChIKeyFOHHWGVAOVDVLP-UHFFFAOYSA-N
SMILESC1(N)=CC=C(Cl)C([N+]([O-])=O)=C1
CAS DataBase Reference635-22-3(CAS DataBase Reference)
NIST Chemistry ReferenceBenzenamine, 4-chloro-3-nitro-(635-22-3)
EPA Substance Registry System4-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 Data635-22-3(Hazardous Substances Data)
MSDS Information
ProviderLanguage
5-Amino-2-chloronitrobenzene English
SigmaAldrich English
ACROS English
ALFA English
4-Chloro-3-nitroaniline Usage And Synthesis
Chemical Propertiesochre powder
UsesIntermediate in the manufacture of azo dyes, pharmaceuticals, and other organic compounds.
ApplicationCommercial 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].
HazardToxic by ingestion and inhalation.
Safety ProfilePoison 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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