110592-13-7

110592-13-7 structure

110592-13-7 structure

Name: 3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propanenitrile
Chemical Name: 3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propanenitrile
CAS Number: 110592-13-7
Molecular Formula: C₇H₈N₄O₂S
Molecular Weight: 212.22900
Create Date: 2017-07-05 02:44:41
Modify Date: 2024-02-05 19:02:56

Name	3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propanenitrile
Synonyms	3-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)propanenitrile Propanenitrile,3-((2-methyl-5-nitro-1H-imidazol-4-yl)thio) 3-((2-Methyl-4-nitro-1H-imidazol-5-yl)thio)propanenitrile Propanenitrile,3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)

Density	1.43g/cm3
Boiling Point	536.2ºC at 760 mmHg
Molecular Formula	C₇H₈N₄O₂S
Molecular Weight	212.22900
Flash Point	278.1ºC
Exact Mass	212.03700
PSA	123.59000
LogP	2.15528
Vapour Pressure	1.43E-11mmHg at 25°C
Index of Refraction	1.606

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TZ4957000

CHEMICAL NAME :: Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-

CAS REGISTRY NUMBER :: 110592-13-7

LAST UPDATED :: 199709

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C7-H8-N4-O2-S

MOLECULAR WEIGHT :: 212.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 21,403,1987