5-(3-Chlorophenyl)-1H-pyrazole supplier

Name
3-(3-Chlorophenyl)-1H-pyrazole
EINECS
CAS No. 59843-69-5
Article Data3
CAS DataBase
Density 1.292 g/cm³
Solubility
Melting Point
Formula C₉H₇ClN₂
Boiling Point 371.2 °C at 760 mmHg
Molecular Weight 178.621
Flash Point 209.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(3-Chlorophenyl)pyrazole;
PSA 28.68000
LogP 2.73010

5-(3-Chlorophenyl)-1H-pyrazole 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

Product Name

3-(3-Chlorophenyl)-1H-pyrazole

5-(3-Chlorophenyl)-1H-pyrazole Specification

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