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

Modify Date: 2025-09-07 17:24:29

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

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

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
InChIKey	WHRSLRUGPLZANB-UHFFFAOYSA-N
SMILES	CSC(C#N)NC(=O)c1ccc([N+](=O)[O-])cc1

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

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 1
CAS#:31666-15-6 5-Oxazolamine,4...
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