CAS No.102996-34-9,5-Chloro-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102996-34-9
Name:	5-Chloro-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
Article Data:	1

Formula:	C₁₀H₅Cl₂N₃
Molecular Weight:	238.0728
Synonyms:	5-CHLORO-1-(2-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE;1H-Pyrazole-4-carbonitrile,5-chloro-1-(2-chlorophenyl);
Density:	1.42 g/cm³
Boiling Point:	396 °C at 760 mmHg
Flash Point:	193.3 °C
PSA:	41.61000
LogP:	3.05078

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Specification

The 5-Chloro-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile has CAS registry number 102996-34-9. This chemical's molecular formula is C₁₀H₅Cl₂N₃ and molecular weight is 238.0728. What's more, its systematic name is 5-Chloro-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile.

Physical properties about 5-Chloro-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile are: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 492.57; (6)ACD/BCF (pH 7.4): 492.57; (7)ACD/KOC (pH 5.5): 2943.57; (8)ACD/KOC (pH 7.4): 2943.57; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.61 Å²; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 61.65 cm³; (15)Molar Volume: 167.4 cm³; (16)Polarizability: 24.44×10^-24 cm³; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 193.3 °C; (20)Enthalpy of Vaporization: 64.62 kJ/mol; (21)Boiling Point: 396 °C at 760 mmHg; (22)Vapour Pressure: 1.77E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1n2ncc(C#N)c2Cl
(2) InChI: InChI=1/C10H5Cl2N3/c11-8-3-1-2-4-9(8)15-10(12)7(5-13)6-14-15/h1-4,6H
(3) InChIKey: WIAJCPADUPGRNC-UHFFFAOYAX