Methyl 1-methyl-1H-pyrazole-5-carboxylate supplier

Name
Methyl 1-methyl-1H-pyrazole-5-carboxylate
EINECS
CAS No. 17827-60-0
Article Data9
CAS DataBase
Density 1.188 g/cm³
Solubility
Melting Point
Formula C₆H₈N₂O₂
Boiling Point 221.622 °C at 760 mmHg
Molecular Weight 140.14
Flash Point 87.834 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazole-5-carboxylic acid, 1-methyl-, methyl ester;Pyrazole-5-carboxylic acid, 1-methyl-, methyl ester (8CI);
PSA 44.12000
LogP 0.20670

Methyl 1-methyl-1H-pyrazole-5-carboxylate Specification

Methyl 1-methyl-1H-pyrazole-5-carboxylate is an organic compound with the formula C₆H₈N₂O₂, and its systematic name is the same with the product name. With the CAS registry number 17827-60-0, it is also named as 1H-Pyrazole-5-carboxylic acid, 1-methyl-, methyl ester. In addition, the molecular weight is 140.14.

Physical properties of Methyl 1-methyl-1H-pyrazole-5-carboxylate are: (1)ACD/LogP: 0.347; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.08; (6)ACD/BCF (pH 7.4): 1.08; (7)ACD/KOC (pH 5.5): 36.78; (8)ACD/KOC (pH 7.4): 36.78; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 36.524 cm³; (15)Molar Volume: 117.983 cm³; (16)Polarizability: 14.479×10^-24cm³; (17)Surface Tension: 39.03 dyne/cm; (18)Density: 1.188 g/cm³; (19)Flash Point: 87.834 °C; (20)Enthalpy of Vaporization: 45.807 kJ/mol; (21)Boiling Point: 221.622 °C at 760 mmHg; (22)Vapour Pressure: 0.1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccnn1C
(2)Std. InChI: InChI=1S/C6H8N2O2/c1-8-5(3-4-7-8)6(9)10-2/h3-4H,1-2H3
(3)Std. InChIKey: CECCPWAWRYFLOA-UHFFFAOYSA-N

Product Name

Methyl 1-methyl-1H-pyrazole-5-carboxylate

Methyl 1-methyl-1H-pyrazole-5-carboxylate Specification

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