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88054-22-2

Basic Information
CAS No.: 88054-22-2
Name: 1H-Imidazole, 2-methyl-5-nitro-
Molecular Structure:
Molecular Structure of 88054-22-2 (1H-Imidazole, 2-methyl-5-nitro-)
Formula: C4H5N3O2
Molecular Weight: 127.10100
Synonyms:
EINECS:
Density:
Melting Point: 252-254oC
Boiling Point: 0oC
Flash Point: 0oC
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 74.50000
LogP: 1.14950
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Specification

The 2-Methyl-5-nitroimidazole is an organic compound with the formula C4H5N3O2. The IUPAC name of this chemical is 2-methyl-5-nitro-1H-imidazole. With the CAS registry number 88054-22-2, it is also named as Menidazole. The product's categories are Nitro; Metronidazole; Secnidazole. Besides, it is used for organic synthesis, which should be stored in a closed cool and dry place at temperature of 0 - 6 °C.

Physical properties about 2-Methyl-5-nitroimidazole are: (1)ACD/LogP: -0.11; (2)ACD/LogD (pH 5.5): -0.11; (3)ACD/LogD (pH 7.4): -0.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.88; (7)ACD/KOC (pH 7.4): 20.5; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 63.64 Å2; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 30.14 cm3; (14)Molar Volume: 89 cm3; (15)Polarizability: 11.95×10-24cm3; (16)Surface Tension: 66.2 dyne/cm; (17)Density: 1.426 g/cm3; (18)Flash Point: 195.4 °C; (19)Enthalpy of Vaporization: 62.49 kJ/mol; (20)Boiling Point: 399.5 °C at 760 mmHg; (21)Vapour Pressure: 3.14E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cnc(n1)C
(2)InChI: InChI=1/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
(3)InChIKey: FFYTTYVSDVWNMY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
(5)Std. InChIKey: FFYTTYVSDVWNMY-UHFFFAOYSA-N