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66000-39-3

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Basic Information
CAS No.: 66000-39-3
Name: 1-(4-CHLORO-PHENYL)-1H-PYRAZOL-3-YLAMINE
Article Data: 3
Molecular Structure:
Molecular Structure of 66000-39-3 (1-(4-CHLORO-PHENYL)-1H-PYRAZOL-3-YLAMINE)
Formula: C9H8ClN3
Molecular Weight: 193.636
Synonyms: 1H-Pyrazol-3-amine, 1-(4-chlorophenyl)-;
Density: 1.364 g/cm3
Melting Point: 107-108℃
Boiling Point: 349.04 °C at 760 mmHg
Flash Point: 164.894 °C
PSA: 43.84000
LogP: 2.68910
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Specification

The 1-(4-Chlorophenyl)-1H-pyrazol-3-amine, with the CAS registry number 66000-39-3, is also known as 1H-Pyrazol-3-amine, 1-(4-chlorophenyl)-. This chemical's molecular formula is C9H8ClN3 and molecular weight is 193.6329. Its systematic name is called 1-(4-chlorophenyl)-1H-pyrazol-3-amine.

Physical properties of 1-(4-Chlorophenyl)-1H-pyrazol-3-amine: (1)ACD/LogP: 1.43; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 141; (7)ACD/KOC (pH 7.4): 143; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.66; (12)Molar Refractivity: 52.447 cm3; (13)Molar Volume: 141.987 cm3; (14)Surface Tension: 52.464 dyne/cm; (15)Density: 1.364 g/cm3; (16)Flash Point: 164.894 °C; (17)Enthalpy of Vaporization: 59.349 kJ/mol; (18)Boiling Point: 349.04 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)n2ccc(N)n2
(2)InChI: InChI=1/C9H8ClN3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12-13/h1-6H,(H2,11,12)
(3)InChIKey: SHCVEWFQFUKSDP-UHFFFAOYAZ