2-Nitro-.alpha.,.alpha.,1-trimethylimidazole-5-methanol
Names
[ CAS No. ]:
60628-92-4
[ Name ]:
2-Nitro-.alpha.,.alpha.,1-trimethylimidazole-5-methanol
[Synonym ]:
5-(1-hydroxy-1-methylethyl)-1-methyl-2-nitro-1H-imidazole
2-(3-methyl-2-nitro-3H-imidazol-4-yl)-propan-2-ol
5-[(1-hydroxy-1-methyl)ethyl]-1-methyl-2-nitroimidazole
Imidazole,5-(2-hydroxy-2-propyl)-1-methyl-2-nitro
5-(2-Hydroxy-2-propyl)-1-methyl-2-nitroimidazole
Chemical & Physical Properties
[ Density]:
1.34g/cm3
[ Boiling Point ]:
392.7ºC at 760 mmHg
[ Molecular Formula ]:
C7H11N3O3
[ Molecular Weight ]:
185.18100
[ Flash Point ]:
191.3ºC
[ Exact Mass ]:
185.08000
[ PSA ]:
83.87000
[ LogP ]:
1.07890
[ Index of Refraction ]:
1.579
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NI6805000
- CHEMICAL NAME :
- Imidazole-5-methanol, 2-nitro-alpha,alpha,1-trimethyl-
- CAS REGISTRY NUMBER :
- 60628-92-4
- BEILSTEIN REFERENCE NO. :
- 0882890
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H11-N3-O3
- MOLECULAR WEIGHT :
- 185.21
- WISWESSER LINE NOTATION :
- T5N CNJ A1 BNW EXQ1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 698 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia
- 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: 21,781,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 475 mg/kg
- TOXIC EFFECTS :
- Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other oxidoreductases
- 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: 20,1522,1977
Safety Information
[ HS Code ]:
2933290090
Precursor & DownStream
Precursor
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%