Benzenamine, N-[[ (4-chlorophenyl)thio]methyl]-4-nitro-

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Names

[ CAS No. ]:
6631-87-4

[ Name ]:
Benzenamine, N-[[ (4-chlorophenyl)thio]methyl]-4-nitro-

[Synonym ]:
N-[(4-chloro-phenylsulfanyl)-methyl]-4-nitro-aniline
N-[(4-Chlor-phenylmercapto)-methyl]-4-nitro-anilin
ANILINE,N-(p-CHLOROPHENYLTHIOMETHYL)-p-NITRO
Benzenamine,N-[[(4-chlorophenyl)thio]methyl]-4-nitro
N-(p-Chlorophenylthiomethyl)-p-nitroaniline
N-p-Nitrophenylaminomethyl-p-chlorophenyl sulfide

Chemical & Physical Properties

[ Density]:
1.39g/cm3

[ Boiling Point ]:
479.3ºC at 760 mmHg

[ Molecular Formula ]:
C13H11ClN2O2S

[ Molecular Weight ]:
294.75700

[ Flash Point ]:
243.7ºC

[ Exact Mass ]:
294.02300

[ PSA ]:
83.15000

[ LogP ]:
5.00610

[ Index of Refraction ]:
1.666

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BX1800000
CHEMICAL NAME :
Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-
CAS REGISTRY NUMBER :
6631-87-4
BEILSTEIN REFERENCE NO. :
2747568
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H11-Cl-N2-O2-S
MOLECULAR WEIGHT :
294.77
WISWESSER LINE NOTATION :
WNR DM1SR DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
316 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00537

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Formaldehyde
  • 4-Nitroaniline
  • 4-Chlorothiophenol

DownStream

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 3-[(4-Chloro-3-methylphenyl)methyl]thiolan-3-amine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide