2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile

Modify Date: 2024-04-01 20:09:32

2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile Structure
2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile structure
 Common Name 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile
CAS Number 110579-00-5 Molecular Weight 198.20200
Density 1.5g/cm3 Boiling Point 506.9ºC at 760 mmHg
Molecular Formula C6H6N4O2S Melting Point N/A
MSDS N/A Flash Point 260.3ºC

 Names

Name 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

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

 Synthetic Route

2-chloroacetonitrile structure

2-chloroacetonitrile

CAS#:107-14-2

ammonium salt of 4-mercapto-2-methyl-5-nitroimidazole structure

ammonium salt o...

CAS#:13750-86-2

~61%

2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile Structure

2-[(2-methyl-5-...

CAS#: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 & DownStream

Precursor  1

DownStream  0

 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
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Chemsrc provides CAS#:110579-00-5 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile>> amp version: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile

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