4-Methyl-5-nitroimidazole

Names

[ 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

Click to get detail 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

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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)