4-Chloro-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid supplier

Name
4-CHLORO-1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
EINECS
CAS No. 685513-49-9
Density 1.3 g/cm³
Solubility
Melting Point
Formula C₉H₁₃ClN₂O₂
Boiling Point 352.8 °C at 760 mmHg
Molecular Weight 216.66
Flash Point 167.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid;
PSA 55.12000
LogP 1.97020

4-Chloro-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid Specification

The 4-Chloro-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid with its cas register number is 685513-49-9. It also can be called as 1H-Pyrazole-5-carboxylicacid, 4-chloro-1-methyl-3-(2-methylpropyl)- and the Systematic name about this chemical is 1H-pyrazole-5-carboxylic acid, 4-chloro-1-methyl-3-(2-methylpropyl)-. It belongs to the Heterocycle.

Physical properties about 4-Chloro-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5):; (3)ACD/LogD (pH 7.4):; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.12Å²; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 54.22 cm³; (14)Molar Volume: 165.7 cm³; (15)Polarizability: 21.49x10^-24cm³; (16)Surface Tension: 40.6 dyne/cm; (17)Enthalpy of Vaporization: 63.07 kJ/mol; (18)Vapour Pressure: 1.38E-05 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)Cc1c(c(n(n1)C)C(=O)O)Cl
(2)InChI: InChI=1/C9H13ClN2O2/c1-5(2)4-6-7(10)8(9(13)14)12(3)11-6/h5H,4H2,1-3H3,(H,13,14)
(3)InChIKey: ADOALHKKXZVQFF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H13ClN2O2/c1-5(2)4-6-7(10)8(9(13)14)12(3)11-6/h5H,4H2,1-3H3,(H,13,14)
(5)Std. InChIKey: ADOALHKKXZVQFF-UHFFFAOYSA-N

Product Name

4-CHLORO-1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID

4-Chloro-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid Specification

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