Benzenamine,4-isothiocyanato-N,N-dimethyl-

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Names

[ CAS No. ]:
2131-64-8

[ Name ]:
Benzenamine,4-isothiocyanato-N,N-dimethyl-

[Synonym ]:
4-dimethylaminophenylisothiocyanate
4-isothiocyanato-N,N-dimethyl-aniline
Benzenamine,4-isothiocyanato-N,N-dimethyl
Isothiocyanic acid,p-dimethylaminophenyl ester
EINECS 218-360-4
4-Dimethylamino-phenylisothiocyanat
4-Isothiocyanato-N,N-Dimethyl-Benzenamine
MFCD00041093
TL 1106
4-Isothiocyanato-N,N-dimethyl-anilin

Chemical & Physical Properties

[ Density]:
1.04g/cm3

[ Boiling Point ]:
152 °C

[ Melting Point ]:
69 °C

[ Molecular Formula ]:
C9H10N2S

[ Molecular Weight ]:
178.25400

[ Flash Point ]:
152°C/6mm

[ Exact Mass ]:
178.05600

[ PSA ]:
47.69000

[ LogP ]:
2.48690

[ Vapour Pressure ]:
0.00108mmHg at 25°C

[ Index of Refraction ]:
1.56

[ Storage condition ]:
Keep Cold

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8500000
CHEMICAL NAME :
Isothiocyanic acid, p-dimethylaminophenyl ester
CAS REGISTRY NUMBER :
2131-64-8
BEILSTEIN REFERENCE NO. :
0388270
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H10-N2-S
MOLECULAR WEIGHT :
178.27
WISWESSER LINE NOTATION :
SCNR DN1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
640 mg/m3/10M
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report. Volume(issue)/page/year: No.9-4-1-19,1943

Safety Information

[ Hazard Codes ]:
Xi: Irritant;T: Toxic;

[ Risk Phrases ]:
R23/24/25;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39-S45

[ RIDADR ]:
2811

[ RTECS ]:
NX8500000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiophosgene
  • N,N-Dimethyl-1,4-benzenediamine
  • Phenyl chlorothionocarbonate
  • Carbon disulphide
  • O,O-Di-2-pyridinyl carbonothioate
  • n,n-dimethyl-p-phenylenediamine monohydrochloride
  • phosgene
  • Phenyl isothiocyanate

DownStream

  • 1-[4-(dimethylamino)phenyl]-2-thiourea
  • 2-Imidazolidinethione,1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-
  • 1-amino-3-[4-(dimethylamino)phenyl]thiourea
  • Hydrazinecarbothioamide, N-[4-(dimethylamino)phenyl]-2-[(3-methyl-4-phenyl-2-pyridinyl)methylene]-
  • 3-[4-(dimethylamino)phenyl]-2-sulfanylideneimidazolidin-4-one

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

  • 1-Butanamine,4-isothiocyanato-N,N-dimethyl-(9CI)
  • Benzenamine, 4-isocyano-N,N-dimethyl- (9CI)
  • Benzenamine, 4-dioxaziridinyl-N,N-dimethyl- (9CI)
  • Benzenamine,4-butyl-N,N-dimethyl-
  • BENZENAMINE, 4-CYCLOPROPYL-N,N-DIMETHYL-
  • Benzenamine,4-(diphenylmethyl)-N,N-dimethyl-