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
n-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)octanamide
2-(1H-Imidazol-1-yl)-1-(2,4,5-trichlorophenyl)ethanone
Methyl 4-(2-{3-[3-(pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl}acetamido)benzoate
N-(4-Fluorobenzyl)-2-(3-(3-(pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)acetamide
2(1h)-Quinolinone,3-[(4-fluorophenyl)amino]-1-methyl-4-phenyl-
Methyl 3-oxo-5-(2-oxoindolin-3-yl)pentanoate
3-(4-Methoxyanilino)-1-methyl-4-phenylquinolin-2-one
Methyl 3-oxo-4-(4-oxopiperidin-1-yl)butanoate
N-cyclohexyl-3-[3-(pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
N-(4-chlorophenyl)-3-(3-(pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide

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