5-Bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester supplier

Name
Ethyl 5-bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
EINECS
CAS No. 110821-40-4
Article Data1
CAS DataBase
Density 1.576 g/cm³
Solubility
Melting Point 100-102℃
Formula C₁₂H₁₀BrClN₂O₂
Boiling Point 398.598 °C at 760 mmHg
Molecular Weight 329.58
Flash Point 194.865 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms LogP
PSA 44.12000
LogP 3.46490

5-Bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester Specification

This chemical is called Ethyl 5-bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate, and its CAS registry number is 110821-40-4. With the molecular formula of C₁₂H₁₀BrClN₂O₂, its molecular weight is 329.58.

Other characteristics of the Ethyl 5-bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate can be summarised as followings: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 304; (6)ACD/BCF (pH 7.4): 304; (7)ACD/KOC (pH 5.5): 2083; (8)ACD/KOC (pH 7.4): 2083; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 73.972 cm³; (15)Molar Volume: 209.093 cm³; (16)Polarizability: 29.325×10^-24cm³; (17)Surface Tension: 48.456 dyne/cm; (18)Density: 1.576 g/cm³; (19)Flash Point: 194.865 °C; (20)Enthalpy of Vaporization: 64.92 kJ/mol; (21)Boiling Point: 398.598 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)c2cnn(c1ccc(Cl)cc1)c2Br
2.InChI: InChI=1/C12H10BrClN2O2/c1-2-18-12(17)10-7-15-16(11(10)13)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
3.InChIKey: BWALRXGXGVEXDX-UHFFFAOYAA

Product Name

Ethyl 5-bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate

5-Bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester Specification

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