CAS No.41806-40-0,1-Methyl-1H-imidazole-5-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41806-40-0
Name:	1-Methyl-1H-imidazole-5-carboxylic acid
Article Data:	11

Formula:	C₅H₆N₂O₂
Molecular Weight:	126.115
Synonyms:	1-Methylimidazole-5-carboxylic acid;3-Methyl-3H-imidazole-4-carboxylic acid;Imidazole-5-carboxylicacid, 1-methyl- (6CI);1H-Imidazole-5-carboxylicacid, 1-methyl-;
Density:	1.349 g/cm³
Melting Point:	247 °C
Boiling Point:	399.057 °C at 760 mmHg
Flash Point:	195.143 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	55.12000
LogP:	0.11830

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Specification

1-Methyl-1H-imidazole-5-carboxylic acid is an organic compound with the formula C₅H₆N₂O₂, and its systematic name is the same with the product name. With the CAS registry number 41806-40-0, it is also named as 1H-Imidazole-5-carboxylicacid, 1-methyl-. It belongs to the product categories of Blocks; Carboxes; Imidazoles; Carboxylic Acids; Imidazoles & Benzimidazoles. In addition, the molecular weight is 126.11.

Physical properties of 1-Methyl-1H-imidazole-5-carboxylic acid are: (1)ACD/LogP: 0.407; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.99; (4)ACD/LogD (pH 7.4): -2.55; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.12 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 31.563 cm³; (15)Molar Volume: 93.455 cm³; (16)Polarizability: 12.513×10^-24cm³; (17)Surface Tension: 51.45 dyne/cm; (18)Density: 1.349 g/cm³; (19)Flash Point: 195.143 °C; (20)Enthalpy of Vaporization: 68.519 kJ/mol; (21)Boiling Point: 399.057 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cncn1C
(2)Std. InChI: InChI=1S/C5H6N2O2/c1-7-3-6-2-4(7)5(8)9/h2-3H,1H3,(H,8,9)
(3)Std. InChIKey: PBEDVTDUVXFSMW-UHFFFAOYSA-N