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

Name
4-CHLORO-1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 128537-44-0
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₇ClN₂O₂
Boiling Point 340.5 °C at 760 mmHg
Molecular Weight 244.72
Flash Point 159.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-pyrazole-5-carboxylic acid, 4-chloro-1-methyl-3-(2-methylpropyl)-, ethyl ester;
PSA 44.12000
LogP 2.44870

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

The 4-Chloro-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid ethyl ester, with the cas registry number 128537-44-0, has the systematic name of 1H-pyrazole-5-carboxylic acid, 4-chloro-1-methyl-3-(2-methylpropyl)-, ethyl ester. The molecular formula of the chemical is C₁₁H₁₇ClN₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 83.53; (6)ACD/BCF (pH 7.4): 83.53; (7)ACD/KOC (pH 5.5): 826.58; (8)ACD/KOC (pH 7.4): 826.58; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.12 ?2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 63.8 cm3; (15)Molar Volume: 206.3 cm3; (16)Polarizability: 25.29 10-24cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 159.7 °C; (20)Enthalpy of Vaporization: 58.4 kJ/mol; (21)Boiling Point: 340.5 °C at 760 mmHg; (22)Vapour Pressure: 8.59E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)c1c(c(nn1C)CC(C)C)Cl
(2)InChI: InChI=1/C11H17ClN2O2/c1-5-16-11(15)10-9(12)8(6-7(2)3)13-14(10)4/h7H,5-6H2,1-4H3
(3)InChIKey: GUECSZIEWZBYPF-UHFFFAOYAW

Product Name

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

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

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