CAS No.162758-35-2,5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	162758-35-2
Name:	5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic acid
Article Data:	36

Formula:	C₁₇H₁₁Cl₃N₂O₂
Molecular Weight:	381.646
Synonyms:	1-(2,4-Dichlorophenyl)-5-(4-chlorophenyl)-4-methyl-1H-pyrazole-3-carboxylicacid;5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylicacid;1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-;Rimobant oarboxylic acid;Rimonabant carboxylic acid;
Density:	1.48 g/cm³
Melting Point:	202-203 °C
Boiling Point:	551.208 °C at 760 mmHg
Flash Point:	287.161 °C
Hazard Symbols:	F,Xi,Xn,T
Risk Codes:	36/37/38
Safety:	26-36
PSA:	55.12000
LogP:	5.50610

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Specification

5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid is an organic compound with the formula C₁₇H₁₁Cl₃N₂O₂, and its systematic name is the same with the product name. With the CAS registry number 162758-35-2, it is also named as 1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-. It belongs to the product category of Pharmacetical. In addition, the molecular weight is 381.64.

Physical properties of 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid are: (1)ACD/LogP: 6.518; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 394.88; (6)ACD/BCF (pH 7.4): 41.98; (7)ACD/KOC (pH 5.5): 624.68 ; (8)ACD/KOC (pH 7.4): 66.40; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.12 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 95.575 cm³; (15)Molar Volume: 257.834 cm³; (16)Polarizability: 37.889×10^-24cm³; (17)Surface Tension: 51.46 dyne/cm; (18)Density: 1.48 g/cm³; (19)Flash Point: 287.161 °C; (20)Enthalpy of Vaporization: 87.496 kJ/mol; (21)Boiling Point: 551.208 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc(c2c(c(nn2c1c(Cl)cc(Cl)cc1)C(=O)O)C)cc3
(2)Std. InChI: InChI=1S/C17H11Cl3N2O2/c1-9-15(17(23)24)21-22(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,23,24)
(3)Std. InChIKey: CYAYCOCJAVHQSD-UHFFFAOYSA-N