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Basic Information
CAS No.: 59843-69-5
Name: 3-(3-Chlorophenyl)-1H-pyrazole
Article Data: 3
Molecular Structure:
Molecular Structure of 59843-69-5 (3-(3-Chlorophenyl)-1H-pyrazole)
Formula: C9H7ClN2
Molecular Weight: 178.621
Synonyms: 3-(3-Chlorophenyl)pyrazole;
Density: 1.292 g/cm3
Boiling Point: 371.2 °C at 760 mmHg
Flash Point: 209.9 °C
PSA: 28.68000
LogP: 2.73010
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Specification

The 5-(3-Chlorophenyl)-1H-pyrazole is an organic compound with the formula C9H7ClN2. The systematic name of this chemical is 5-(3-Chlorophenyl)-1H-pyrazole. With the CAS registry number 59843-69-5, it is also named as 3-(3-Chlorophenyl)pyrazole. Besides, its molecular weight is 178.62.

The physical properties of 5-(3-Chlorophenyl)-1H-pyrazole are: (1)ACD/LogP: 2.64; (2)ACD/LogD (pH 5.5): 2.64; (3)ACD/LogD (pH 7.4): 2.64; (4)ACD/BCF (pH 5.5): 59.8; (5)ACD/BCF (pH 7.4): 59.81; (6)ACD/KOC (pH 5.5): 650.67; (7)ACD/KOC (pH 7.4): 650.8; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.82 Å2; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 48.26 cm3; (14)Molar Volume: 138.2 cm3; (15)Polarizability: 19.13×10-24 cm3; (16)Surface Tension: 51.4 dyne/cm; (17)Density: 1.292 g/cm3; (18)Flash Point: 209.9 °C; (19)Enthalpy of Vaporization: 59.39 kJ/mol; (20)Boiling Point: 371.2 °C at 760 mmHg; (21)Vapour Pressure: 2.24E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(c1)c2ccnn2
(2)InChI: InChI=1/C9H7ClN2/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)
(3)InChIKey: HSZSUEDJQQWSHX-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H7ClN2/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)
(5)Std. InChIKey: HSZSUEDJQQWSHX-UHFFFAOYSA-N