1H-Pyrazole-3,4-dicarboxylicacid, 1-methyl-, diethyl ester (9CI) supplier

Name
Pyrazole-3,4-dicarboxylicacid,1-Methyl-,diethylester
EINECS
CAS No. 10514-60-0
Article Data2
CAS DataBase
Density 1.219 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄N₂O₄
Boiling Point 303.19 °C at 760 mmHg
Molecular Weight 226.232
Flash Point 137.165 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazole-3,4-dicarboxylicacid, 1-methyl-, diethyl ester (7CI,8CI);
PSA 70.42000
LogP 0.77350

1H-Pyrazole-3,4-dicarboxylicacid, 1-methyl-, diethyl ester (9CI) Specification

The 1H-Pyrazole-3,4-dicarboxylicacid, 1-methyl-, diethyl ester (9CI), with the CAS registry number 10514-60-0, is also known as Diethyl 1-methyl-1H-pyrazole-3,4-dicarboxylate. This chemical's molecular formula is C₁₀H₁₄N₂O₄ and molecular weight is 226.10. What's more, its IUPAC name is called Diethyl 1-methylpyrazole-3,4-dicarboxylate.

Physical properties about 1H-Pyrazole-3,4-dicarboxylicacid, 1-methyl-, diethyl ester (9CI) are: (1)ACD/LogP: 0.888; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.79; (6)ACD/BCF (pH 7.4): 2.79; (7)ACD/KOC (pH 5.5): 72.50; (8)ACD/KOC (pH 7.4): 72.50; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 70.42 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 57.017 cm³; (15)Molar Volume: 185.563 cm³; (16)Polarizability: 22.603×10^-24cm³; (17)Surface Tension: 39.995 dyne/cm; (18)Density: 1.219 g/cm³; (19)Flash Point: 137.165 °C; (20)Enthalpy of Vaporization: 54.346 kJ/mol; (21)Boiling Point: 303.19 °C at 760 mmHg; (22)Vapour Pressure: 0.00100 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1c(nn(c1)C)C(=O)OCC
(2) InChI: InChI=1S/C10H14N2O4/c1-4-15-9(13)7-6-12(3)11-8(7)10(14)16-5-2/h6H,4-5H2,1-3H3
(3) InChIKey: WGDUGNXQHVPZSH-UHFFFAOYSA-N

Product Name

Pyrazole-3,4-dicarboxylicacid,1-Methyl-,diethylester

1H-Pyrazole-3,4-dicarboxylicacid, 1-methyl-, diethyl ester (9CI) Specification

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