Methyl-4-nitro-1H-imidazole-5-carbaldehyde supplier

Name
1H-Imidazole-5-carboxaldehyde, 1-methyl-4-nitro- (9CI)
EINECS
CAS No. 85012-73-3
Article Data4
CAS DataBase
Density 1.525 g/cm³
Solubility
Melting Point
Formula C₅H₅N₃O₃
Boiling Point 422.974 °C at 760 mmHg
Molecular Weight 155.113
Flash Point 209.608 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methyl-5-nitroimidazole-4-carbaldehyde;
PSA 80.71000
LogP 0.66400

Methyl-4-nitro-1H-imidazole-5-carbaldehyde Specification

The 1H-Imidazole-5-carboxaldehyde,1-methyl-4-nitro-, with the CAS registry number 85012-73-3, is also known as 1-Methyl-4-nitro-1H-imidazole-5-carbaldehyde. It belongs to the product category of Aldehyde. This chemical's molecular formula is C₅H₅N₃O₃ and molecular weight is 155.11. What's more, its IUPAC name is called 3-Methyl-5-nitroimidazole-4-carbaldehyde.

Physical properties about 1H-Imidazole-5-carboxaldehyde,1-methyl-4-nitro- are: (1)ACD/LogP: 0.702; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.70; (4)ACD/LogD (pH 7.4): 0.70; (5)ACD/BCF (pH 5.5): 2.01; (6)ACD/BCF (pH 7.4): 2.01; (7)ACD/KOC (pH 5.5): 57.42; (8)ACD/KOC (pH 7.4): 57.42; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 80.71 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 36.372 cm³; (15)Molar Volume: 101.71 cm³; (16)Polarizability: 14.419×10^-24cm³; (17)Surface Tension: 66.169 dyne/cm; (18)Density: 1.525 g/cm³; (19)Flash Point: 209.608 °C; (20)Enthalpy of Vaporization: 67.723 kJ/mol; (21)Boiling Point: 422.974 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cn1cnc(c1C=O)[N+](=O)[O-]
(2) InChI: InChI=1S/C5H5N3O3/c1-7-3-6-5(8(10)11)4(7)2-9/h2-3H,1H3
(3) InChIKey: VWTGGHMOJLORHA-UHFFFAOYSA-N

Product Name

1H-Imidazole-5-carboxaldehyde, 1-methyl-4-nitro- (9CI)

Methyl-4-nitro-1H-imidazole-5-carbaldehyde Specification

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