Mthyl 1-methyl-1H-pyrazole-3-carboxylate supplier

Name
methyl 1-methyl-1H-pyrazole-3-carboxylate
EINECS
CAS No. 17827-61-1
Article Data17
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₆H₈N₂O₂
Boiling Point 221.6 °C at 760 mmHg
Molecular Weight 140.142
Flash Point 87.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Mthyl 1-methylpyrazole-3-carboxylate;
PSA 44.12000
LogP 0.20670

Mthyl 1-methyl-1H-pyrazole-3-carboxylate Specification

The 1H-Pyrazole-3-carboxylic acid, 1-methyl-, methyl ester with CAS registry number of 17827-61-1 is also known as Mthyl 1-methylpyrazole-3-carboxylate. The systematic name is Mthyl 1-methyl-1H-pyrazole-3-carboxylate. In addition, the formula is C₆H₈N₂O₂ and the molecular weight is 140.14.

Physical properties about 1H-Pyrazole-3-carboxylic acid, 1-methyl-, methyl ester are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.56; (8)ACD/KOC (pH 7.4): 28.56; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 36.52 cm³; (14)Molar Volume: 117.9 cm³; (15)Surface Tension: 39 dyne/cm; (16)Density: 1.18 g/cm³; (17)Flash Point: 87.8 °C; (18)Enthalpy of Vaporization: 45.81 kJ/mol; (19)Boiling Point: 221.6 °C at 760 mmHg; (20)Vapour Pressure: 0.106 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES:O=C(OC)c1nn(cc1)C
2. InChI:InChI=1/C6H8N2O2/c1-8-4-3-5(7-8)6(9)10-2/h3-4H,1-2H3
3. InChIKey:WUUOFOYBXXQAGD-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C6H8N2O2/c1-8-4-3-5(7-8)6(9)10-2/h3-4H,1-2H3
5. Std. InChIKey:WUUOFOYBXXQAGD-UHFFFAOYSA-N

Product Name

methyl 1-methyl-1H-pyrazole-3-carboxylate

Mthyl 1-methyl-1H-pyrazole-3-carboxylate Specification

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