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CAS No.: | 102996-32-7 |
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Name: | 5-Chloro-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H5Cl2N3 |
Molecular Weight: | 238.0728 |
Synonyms: | 1H-Pyrazole-4-carbonitrile,5-chloro-1-(4-chlorophenyl);5-CHLORO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE; |
Density: | 1.42 g/cm3 |
Boiling Point: | 387.1 °C at 760 mmHg |
Flash Point: | 187.9 °C |
PSA: | 41.61000 |
LogP: | 3.05078 |
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The 5-Chloro-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile has CAS registry number 102996-32-7. This chemical's molecular formula is C10H5Cl2N3 and molecular weight is 238.0728. What's more, its systematic name is 5-Chloro-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile.
Physical properties about 5-Chloro-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 266.51; (6)ACD/BCF (pH 7.4): 266.51; (7)ACD/KOC (pH 5.5): 1896.4; (8)ACD/KOC (pH 7.4): 1896.4; (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: 187.9 °C; (20)Enthalpy of Vaporization: 63.61 kJ/mol; (21)Boiling Point: 387.1 °C at 760 mmHg; (22)Vapour Pressure: 3.39E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)n2ncc(C#N)c2Cl
(2) InChI: InChI=1/C10H5Cl2N3/c11-8-1-3-9(4-2-8)15-10(12)7(5-13)6-14-15/h1-4,6H
(3) InChIKey: QLPSTWYHZMFJOJ-UHFFFAOYAD