1,3-Dimethylpyrazole-4-carboxylic acid supplier

Name
1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9CI)
EINECS
CAS No. 78703-53-4
Article Data19
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point 182 °C
Formula C₆H₈N₂O₂
Boiling Point 299.2 °C at 760 mmHg
Molecular Weight 140.142
Flash Point 134.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazole-4-carboxylic acid, 1,3-dimethyl-;
PSA 55.12000
LogP 0.42670

1,3-Dimethylpyrazole-4-carboxylic acid Specification

The 1,3-Dimethyl-1H-pyrazole-4-carboxylic acid, with the CAS registry number 78703-53-4, is also known as 1H-Pyrazole-4-carboxylic acid, 1,3-dimethyl-. It belongs to the product category of Carboxylicacid. This chemical's molecular formula is C₆H₈N₂O₂ and molecular weight is 140.1399. What's more, its IUPAC name is 1,3-Dimethylpyrazole-4-carboxylic acid.

Physical properties about 1,3-Dimethyl-1H-pyrazole-4-carboxylic acid are: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.25; (4)ACD/LogD (pH 7.4): -2.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 35.98 cm³; (15)Molar Volume: 108.7 cm³; (16)Polarizability: 14.26×10^-24 cm³; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 134.7 °C; (20)Enthalpy of Vaporization: 56.93 kJ/mol; (21)Boiling Point: 299.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000542 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c(nn(c1)C)C
(2) InChI: InChI=1/C6H8N2O2/c1-4-5(6(9)10)3-8(2)7-4/h3H,1-2H3,(H,9,10)
(3) InChIKey: YALJPBXSARRWTA-UHFFFAOYAJ

Product Name

1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9CI)

1,3-Dimethylpyrazole-4-carboxylic acid Specification

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