2,1,3-Benzoxadiazole,4-nitro-7-(phenylthio)-

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Names

[ Name ]:
2,1,3-Benzoxadiazole,4-nitro-7-(phenylthio)-

[Synonym ]:
7-Phenylmercapto-4-nitro-benzofurazan
4-Nitro-7-phenylthiobenzofurazan
7-phenylthio-4-nitrobenzofurazan
4-Phenylthio-7-nitro-2,1,3-benzoxadiazole

Chemical & Physical Properties

[ Density]:
1.53g/cm3

[ Boiling Point ]:
476.1ºC at 760 mmHg

[ Molecular Formula ]:
C₁₂H₇N₃O₃S

[ Molecular Weight ]:
273.26700

[ Flash Point ]:
241.7ºC

[ Exact Mass ]:
273.02100

[ PSA ]:
110.04000

[ LogP ]:
3.80540

[ Vapour Pressure ]:
9.03E-09mmHg at 25°C

[ Index of Refraction ]:
1.731

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DF8031600

CHEMICAL NAME :: Benzofurazan, 4-nitro-7-phenylthio-

CAS REGISTRY NUMBER :: 16322-23-9

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H7-N3-O3-S

MOLECULAR WEIGHT :: 273.28

WISWESSER LINE NOTATION :: T56 BNONJ FSR& INW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Rodent - mouse Leukocyte

DOSE/DURATION :: 3 umol/L

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 35,3735,1975

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Thiophenol
4-Chloro-7-nitrobenzofurazan
4-Fluorothiophenol
2,1,3-Benzoxadiazole,5-chloro-, 1-oxide
5-Chloro-2-nitroaniline
5-chloro-2,1,3-benzoxadiazole
5-Chloro-4-nitrobenzofurazane
4-Bromo-7-nitrobenzo[c][1,2,5]oxadiazole

DownStream

Related Compounds

2,1,3-Benzoxadiazole,4-nitro-7-[(4-nitrophenyl)sulfinyl]-, 1-oxide
2,1,3-Benzoxadiazole,4-nitro-7-(phenylsulfonyl)-, 1-oxide
2,1,3-Benzoxadiazole,4-nitro-7-[(phenylmethyl)thio]-
2,1,3-Benzoxadiazole,4-nitro-7-[(4-nitrophenyl)sulfinyl]-
2,1,3-Benzoxadiazole,4-nitro-7-(4-phenyl-1-piperazinyl)-
2,1,3-Benzoxadiazole,4-nitro-7-(1-pyrrolidinyl)-, 1-oxide