110579-00-5

110579-00-5 structure

Name: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile
Chemical Name: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile
CAS Number: 110579-00-5
Molecular Formula: C₆H₆N₄O₂S
Molecular Weight: 198.20200
Create Date: 2016-04-25 01:09:17
Modify Date: 2025-09-17 05:24:08

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

Density	1.5g/cm3
Boiling Point	506.9ºC at 760 mmHg
Molecular Formula	C₆H₆N₄O₂S
Molecular Weight	198.20200
Flash Point	260.3ºC
Exact Mass	198.02100
PSA	123.59000
LogP	1.76518
Vapour Pressure	2.14E-10mmHg at 25°C
Index of Refraction	1.623

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM0932000

CHEMICAL NAME :: Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-

CAS REGISTRY NUMBER :: 110579-00-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C6-H6-N4-O2-S

MOLECULAR WEIGHT :: 198.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 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

107-14-2

13750-86-2

~61%

110579-00-5

Literature: Iradyan, M. A.; Ayvazyan, A. Kh.; Mirzoyan, V. S.; Paronikyan, G. M.; Sarkisyan, T. P.; et al. Pharmaceutical Chemistry Journal, 1987 , vol. 21, # 6 p. 403 - 408 Khimiko-Farmatsevticheskii Zhurnal, 1987 , vol. 21, # 6 p. 667 - 672

Precursor 1
107-14-2
DownStream 0

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