2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile

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Names

[ CAS No. ]:
110579-01-6

[ Name ]:
2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile

[Synonym ]:
Acetonitrile,((1-methyl-4-nitro-1H-imidazol-5-yl)thio)
((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
Acetonitrile,2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]

Chemical & Physical Properties

[ Density]:
1.5g/cm3

[ Boiling Point ]:
453.2ºC at 760mmHg

[ Molecular Formula ]:
C6H6N4O2S

[ Molecular Weight ]:
198.20200

[ Flash Point ]:
227.9ºC

[ Exact Mass ]:
198.02100

[ PSA ]:
112.73000

[ LogP ]:
1.46718

[ Vapour Pressure ]:
2.11E-08mmHg at 25°C

[ Index of Refraction ]:
1.679

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM0930000
CHEMICAL NAME :
Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
CAS REGISTRY NUMBER :
110579-01-6
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 :
60 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

Safety Information

[ HS Code ]:
2933290090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-chloroacetonitrile

DownStream

Customs

[ HS Code ]: 2933290090

[ Summary ]:
2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%