4-Methyl-5-nitroimidazole
Names
[ CAS No. ]:
14003-66-8
[ Name ]:
4-Methyl-5-nitroimidazole
[Synonym ]:
4-Methyl-5-nitro-1H-imidazole
EINECS 237-809-5
1H-Imidazole, 5-methyl-4-nitro-
5-Methyl-4-nitro-1H-imidazole
MFCD00091864
1H-imidazole, 4-methyl-5-nitro-
4-Methyl-5-nitroimidazole
Chemical & Physical Properties
[ Density]:
1.4±0.1 g/cm3
[ Boiling Point ]:
380.2±22.0 °C at 760 mmHg
[ Melting Point ]:
249ºC(lit.)
[ Molecular Formula ]:
C4H5N3O2
[ Molecular Weight ]:
127.101
[ Flash Point ]:
183.8±22.3 °C
[ Exact Mass ]:
127.038177
[ PSA ]:
74.50000
[ LogP ]:
0.38
[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C
[ Index of Refraction ]:
1.592
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NI7562000
- CHEMICAL NAME :
- Imidazole, 4-methyl-5-nitro-
- CAS REGISTRY NUMBER :
- 14003-66-8
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C4-H5-N3-O2
- MOLECULAR WEIGHT :
- 127.12
- WISWESSER LINE NOTATION :
- T5M CNJ D1 ENW
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Klebsiella pneumoniae
- DOSE/DURATION :
- 10 umol/L/20H
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 66,207,1979
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H315-H319-H335
[ Precautionary Statements ]:
P261-P305 + P351 + P338
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
Xi: Irritant;
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S26;S36
[ RIDADR ]:
NONH for all modes of transport
[ RTECS ]:
NI7562000
[ HS Code ]:
2933290090
Synthetic Route
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%
Articles
Nat. Commun. 4 , 2684, (2013)
Functional cellular substrates for localized cell stimulation by small molecules provide an opportunity to control and monitor cell signalling networks chemically in time and space. However, despite i...
1, 4-Dinitroimidazole and derivatives. Structure and thermal rearrangement. Grimmett MR, et al.Aust. J. Chem. 42(8) , 1281-1289, (1989)
Reaction between heterocyclic NH-acids and dibenzoylacetylene in the presence of triphenylphosphine. Simple synthesis of 1-(3-furyl)-1H-imidazole derivatives. Yavari I, et al.
Tetrahedron Lett. 43(51) , 9449-9452, (2002)