Methyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate supplier

Name
METHYL 1-METHYL-4-NITRO-1H-IMIDAZOLE-2-CARBOXYLATE
EINECS
CAS No. 169770-25-6
Article Data6
CAS DataBase
Density 1.49 g/cm³
Solubility
Melting Point 157-158 °C
Formula C₆H₇N₃O₄
Boiling Point 345 °C at 760 mmHg
Molecular Weight 185.139
Flash Point 162.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl4-nitro-1-methylimidazole-2-carboxylate;
PSA 89.94000
LogP 0.63810

Methyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate Specification

The Methyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate, with the CAS registry number 169770-25-6, is also known as 1H-Imidazole-2-carboxylic acid, 1-methyl-4-nitro-, methyl ester. This chemical's molecular formula is C₆H₇N₃O₄ and molecular weight is 185.14. Its systematic name is called methyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate.

Physical properties of Methyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate: (1)ACD/LogP: -0.16; (2)ACD/LogD (pH 5.5): -0.16; (3)ACD/LogD (pH 7.4): -0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.53; (7)ACD/KOC (pH 7.4): 19.53; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.598; (11)Molar Refractivity: 42.18 cm³; (12)Molar Volume: 123.5 cm³; (13)Surface Tension: 57.5 dyne/cm; (14)Density: 1.49 g/cm³; (15)Flash Point: 162.5 °C; (16)Enthalpy of Vaporization: 58.91 kJ/mol; (17)Boiling Point: 345 °C at 760 mmHg; (18)Vapour Pressure: 6.32E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1nc([N+]([O-])=O)cn1C
(2)InChI: InChI=1/C6H7N3O4/c1-8-3-4(9(11)12)7-5(8)6(10)13-2/h3H,1-2H3
(3)InChIKey: FZSWXFKGZZOIMM-UHFFFAOYAF

Product Name

METHYL 1-METHYL-4-NITRO-1H-IMIDAZOLE-2-CARBOXYLATE

Methyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate Specification

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