Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate supplier

Name
1H-Pyrazole-5-carboxylicacid,1,3,4-trimethyl-,methylester(9CI)
EINECS
CAS No. 773136-70-2
Article Data3
CAS DataBase
Density 1.13
Solubility
Melting Point
Formula C8H12 N2 O2
Boiling Point 256℃
Molecular Weight 168.195
Flash Point 109℃
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazole-5-carboxylicacid,1,3,4-trimethyl-,methylester(9CI);1,3,4-TriMethyl-1H-pyrazole-5-carboxylic acid Methyl ester
PSA 44.12000
LogP 0.82350

Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate Specification

Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate, with the CAS number 773136-70-2, also called 1H-Pyrazole-5-carboxylicacid,1,3,4-trimethyl-,methylester(9CI); 1,3,4-TriMethyl-1H-pyrazole-5-carboxylic acid Methyl ester. Its formula is C₈H₁₂N₂O₂ and it belongs to the categories of Organic chemicals and Derivatives.

Physical properties about Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate are: (1)ACD/LogP: 0.865; (2)ACD/LogD (pH 5.5): 0.87; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 2.68; (5)ACD/BCF (pH 7.4): 2.68; (6)ACD/KOC (pH 5.5): 70.39; (7)ACD/KOC (pH 7.4): 70.40; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.523 ; (11)Molar Refractivity: 45.372 cm³; (12)Molar Volume: 148.569 cm³; (13)Polarizability: 17.987 10-24cm³; (14)Surface Tension: 33.3689994812012 dyne/cm; (15)Density: 1.132 g/cm³; (16)Flash Point: 108.535 °C; (17)Enthalpy of Vaporization: 49.334 kJ/mol; (18)Boiling Point: 255.85 °C at 760 mmHg; (19)Vapour Pressure: 0.0160000007599592 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES:Cc1c(nn(c1C(=O)OC)C)C;
(2)Std. InChI:InChI=1S/C8H12N2O2/c1-5-6(2)9-10(3)7(5)8(11)12-4/h1-4H3;
(3)Std. InChIKey:OCUDOHHJNZEDML-UHFFFAOYSA-N

Product Name

1H-Pyrazole-5-carboxylicacid,1,3,4-trimethyl-,methylester(9CI)

Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate Specification

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