CAS No.3034-42-2,1-METHYL-5-NITROIMIDAZOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3034-42-2
Name:	1-METHYL-5-NITROIMIDAZOLE
Article Data:	26

Formula:	C₄H₅N₃O₂
Molecular Weight:	127.103
Synonyms:	Imidazole,1-methyl-5-nitro- (6CI,7CI,8CI);1-Methyl-5-nitro-1H-imidazole;1-Methyl-5-nitroimidazole;
EINECS:	221-225-2
Density:	1.44 g/cm³
Melting Point:	54-57 °C
Boiling Point:	328.9 °C at 760 mmHg
Flash Point:	152.7 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	63.64000
LogP:	0.85150

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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