Benzamide,N-[cyano(methylthio)methyl]-4-nitro-

Modify Date: 2024-02-26 11:27:45

Benzamide,N-[cyano(methylthio)methyl]-4-nitro- Structure
Benzamide,N-[cyano(methylthio)methyl]-4-nitro- structure
 Common Name Benzamide,N-[cyano(methylthio)methyl]-4-nitro-
CAS Number 31666-17-8 Molecular Weight 251.26200
Density 1.377g/cm3 Boiling Point 472.1ºC at 760mmHg
Molecular Formula C10H9N3O3S Melting Point N/A
MSDS N/A Flash Point 239.3ºC

 Names

Name N-[cyano(methylsulfanyl)methyl]-4-nitrobenzamide

 Chemical & Physical Properties

Density 1.377g/cm3
Boiling Point 472.1ºC at 760mmHg
Molecular Formula C10H9N3O3S
Molecular Weight 251.26200
Flash Point 239.3ºC
Exact Mass 251.03600
PSA 124.01000
LogP 2.45138
Index of Refraction 1.613

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CV2510000
CHEMICAL NAME :
Benzamide, N-(cyano(methylthio)methyl)-p-nitro-
CAS REGISTRY NUMBER :
31666-17-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H9-N3-O3-S
MOLECULAR WEIGHT :
251.28
WISWESSER LINE NOTATION :
WNR DVMYS1&CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,456,1971

 Synthetic Route

5-Oxazolamine,4-(methylthio)-2-(4-nitrophenyl)-N-[(4-nitrophenyl)methylene]- structure

5-Oxazolamine,4...

CAS#:31666-15-6

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Benzamide,N-[cyano(methylthio)methyl]-4-nitro- Structure

Benzamide,N-[cy...

CAS#:31666-17-8
Literature: Shah; Lam; Ketcham Journal of medicinal chemistry, 1971 , vol. 14, # 5 p. 456 - 458

 Precursor & DownStream

Precursor  1

DownStream  0

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Chemsrc provides CAS#:31666-17-8 MSDS, density, melting point, boiling point, structure, etc. Its name is Benzamide,N-[cyano(methylthio)methyl]-4-nitro->> amp version: Benzamide,N-[cyano(methylthio)methyl]-4-nitro-

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