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

Modify Date: 2025-09-06 09:02:31

2,1,3-Benzoxadiazole,4-nitro-7-(phenylthio)- Structure
2,1,3-Benzoxadiazole,4-nitro-7-(phenylthio)- structure
 Common Name 2,1,3-Benzoxadiazole,4-nitro-7-(phenylthio)-
CAS Number 16322-23-9 Molecular Weight 273.26700
Density 1.53g/cm3 Boiling Point 476.1ºC at 760 mmHg
Molecular Formula C12H7N3O3S Melting Point N/A
MSDS N/A Flash Point 241.7ºC

 Names

Name 7-nitro-4-phenylsulfanyl-2,1,3-benzoxadiazole
Synonym More Synonyms

 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
InChIKey OSZUOJOLBOOODG-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccc(Sc2ccccc2)c2nonc12

 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

Thiophenol structure

Thiophenol

CAS#:108-98-5

4-Chloro-7-nitrobenzofurazan structure

4-Chloro-7-nitr...

CAS#:10199-89-0

~81%

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

2,1,3-Benzoxadi...

CAS#:16322-23-9

Literature: Kessler, Ulrich; Castagnolo, Daniele; Pagano, Mafalda; Deodato, Davide; Bernardini, Martina; Pilger, Beatrice; Ranadheera, Charlene; Botta, Maurizio Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 20 p. 5575 - 5577
4-Fluorothiophenol structure

4-Fluorothiophenol

CAS#:371-42-6

4-Chloro-7-nitrobenzofurazan structure

4-Chloro-7-nitr...

CAS#:10199-89-0

~75%

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

2,1,3-Benzoxadi...

CAS#:16322-23-9

Literature: Montoya, Leticia A.; Pearce, Taylor F.; Hansen, Ryan J.; Zakharov, Lev N.; Pluth, Michael D. Journal of Organic Chemistry, 2013 , vol. 78, # 13 p. 6550 - 6557
2,1,3-Benzoxadiazole,5-chloro-, 1-oxide structure

2,1,3-Benzoxadi...

CAS#:17348-69-5

~%

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

2,1,3-Benzoxadi...

CAS#:16322-23-9

Literature: Ghosh,P.B.; Whitehouse,M.W. Journal of Medicinal Chemistry, 1968 , vol. 11, # 2 p. 305 - 311
5-Chloro-2-nitroaniline structure

5-Chloro-2-nitr...

CAS#:1635-61-6

~%

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

2,1,3-Benzoxadi...

CAS#:16322-23-9

Literature: Ghosh,P.B.; Whitehouse,M.W. Journal of Medicinal Chemistry, 1968 , vol. 11, # 2 p. 305 - 311
5-chloro-2,1,3-benzoxadiazole structure

5-chloro-2,1,3-...

CAS#:19155-86-3

~%

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

2,1,3-Benzoxadi...

CAS#:16322-23-9

Literature: Ghosh,P.B.; Whitehouse,M.W. Journal of Medicinal Chemistry, 1968 , vol. 11, # 2 p. 305 - 311
Thiophenol structure

Thiophenol

CAS#:108-98-5

5-Chloro-4-nitrobenzofurazane structure

5-Chloro-4-nitr...

CAS#:5714-17-0

~%

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

2,1,3-Benzoxadi...

CAS#:16322-23-9

Literature: Ghosh,P.B.; Whitehouse,M.W. Journal of Medicinal Chemistry, 1968 , vol. 11, # 2 p. 305 - 311
4-Bromo-7-nitrobenzo[c][1,2,5]oxadiazole structure

4-Bromo-7-nitro...

CAS#:35128-56-4

Thiophenol structure

Thiophenol

CAS#:108-98-5

~%

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

2,1,3-Benzoxadi...

CAS#:16322-23-9

Literature: Rosso, Mauro Domenico del; Nunno, Leonardo Di; Florio, Saverio; Amorese, Antonio Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1980 , p. 239 - 242

 Synonyms

7-Phenylmercapto-4-nitro-benzofurazan
4-Nitro-7-phenylthiobenzofurazan
7-phenylthio-4-nitrobenzofurazan
4-Phenylthio-7-nitro-2,1,3-benzoxadiazole
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Chemsrc provides CAS#:16322-23-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 2,1,3-Benzoxadiazole,4-nitro-7-(phenylthio)->> amp version: 2,1,3-Benzoxadiazole,4-nitro-7-(phenylthio)-

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