1H-Imidazole,1-methyl-5-nitro- supplier

Name
1-METHYL-5-NITROIMIDAZOLE
EINECS 221-225-2
CAS No. 3034-42-2
Article Data26
CAS DataBase
Density 1.44 g/cm³
Solubility
Melting Point 54-57 °C
Formula C₄H₅N₃O₂
Boiling Point 328.9 °C at 760 mmHg
Molecular Weight 127.103
Flash Point 152.7 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Imidazole,1-methyl-5-nitro- (6CI,7CI,8CI);1-Methyl-5-nitro-1H-imidazole;1-Methyl-5-nitroimidazole;
PSA 63.64000
LogP 0.85150

1H-Imidazole,1-methyl-5-nitro- Specification

The 1H-Imidazole,1-methyl-5-nitro-, with the CAS registry number 3034-42-2, is also known as Imidazole, 1-methyl-5-nitro-. Its EINECS registry number is 221-225-2. This chemical's molecular formula is C₄H₅N₃O₂ and molecular weight is 127.1014. Its IUPAC name is called 1-methyl-5-nitroimidazole. This chemical's classification code is Mutation Data. When you are using this chemical, please be cautious about it. It is harmful if swallowed.

Physical properties of 1H-Imidazole,1-methyl-5-nitro-: (1)ACD/LogP: -0.03; (2)ACD/LogD (pH 5.5): -0.03; (3)ACD/LogD (pH 7.4): -0.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 22.95; (7)ACD/KOC (pH 7.4): 22.96; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.618; (11)Molar Refractivity: 30.91 cm³; (12)Molar Volume: 88.1 cm³; (13)Surface Tension: 60.4 dyne/cm; (14)Density: 1.44 g/cm³; (15)Flash Point: 152.7 °C; (16)Enthalpy of Vaporization: 54.86 kJ/mol; (17)Boiling Point: 328.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000352 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C=NC=C1[N+](=O)[O-]
(2)InChI: InChI=1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3
(3)InChIKey: JLZXSFPSJJMRIX-UHFFFAOYSA-N

Product Name

1-METHYL-5-NITROIMIDAZOLE

1H-Imidazole,1-methyl-5-nitro- Specification

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