4-Phenylazophenyl isothiocyanate

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Names

[ CAS No. ]:
7612-96-6

[ Name ]:
4-Phenylazophenyl isothiocyanate

[Synonym ]:
(4-isothiocyanatophenyl)-phenyldiazene
MFCD00041092

Chemical & Physical Properties

[ Density]:
1.15g/cm3

[ Boiling Point ]:
402.4ºC at 760mmHg

[ Melting Point ]:
94ºC

[ Molecular Formula ]:
C13H9N3S

[ Molecular Weight ]:
239.29600

[ Flash Point ]:
211.3ºC

[ Exact Mass ]:
239.05200

[ PSA ]:
69.17000

[ LogP ]:
4.83630

[ Index of Refraction ]:
1.629

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX9125000
CHEMICAL NAME :
Isothiocyanic acid, (p-phenylazo)phenyl ester
CAS REGISTRY NUMBER :
7612-96-6
BEILSTEIN REFERENCE NO. :
0745897
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H9-N3-S
MOLECULAR WEIGHT :
239.31
WISWESSER LINE NOTATION :
SCNR DNUNR

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 :
18 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#02685

Safety Information

[ Risk Phrases ]:
R20/21/22;R36/37/38

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

[ RIDADR ]:
UN 2811

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Precursor & DownStream

Precursor

  • Thiophosgene
  • Aniline Yellow
  • Ethanoic anhydride
  • Carbon tetrachloride

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-isothiocyanate-piretanide
  • BENZOPHENONE-4-ISOTHIOCYANATE
  • Clonidine 4-isothiocyanate
  • 2-naphthyl 4-phenylazophenyl phosphate*
  • 1-Naphthyl 4-phenylazophenyl phosphate
  • N-(S-acetylmercaptoacetyl)-4-isothiocyanate-phenylalanyl-glycyl-glycine ethyl ester