CAS No.667400-39-7,4-(2-Chlorophenyl)-3-methyl-1H-pyrazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	667400-39-7
Name:	4-(2-Chlorophenyl)-3-methyl-1H-pyrazole

Formula:	C₁₀H₉ClN₂
Molecular Weight:	192.64
Synonyms:	4-(2-Chlorophenyl)-3-methylpyrazolidine;
Density:	1.246 g/cm³
Boiling Point:	331.9 °C at 760 mmHg
Flash Point:	184.7 °C
PSA:	28.68000
LogP:	3.03850

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Specification

The 4-(2-Chlorophenyl)-3-methyl-1H-pyrazole, with the CAS registry number 667400-39-7, is also known as 4-(2-Chlorophenyl)-5-methyl-1H-pyrazole. This chemical's molecular formula is C₁₀H₉ClN₂ and molecular weight is 192.64. What's more, its IUPAC name is called 4-(2-Chlorophenyl)-3-methylpyrazolidine.

Physical properties about 4-(2-Chlorophenyl)-3-methyl-1H-pyrazole are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 162.55; (6)ACD/BCF (pH 7.4): 162.87; (7)ACD/KOC (pH 5.5): 1330.45; (8)ACD/KOC (pH 7.4): 1333.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 53.08 cm³; (15)Molar Volume: 154.4 cm³; (16)Surface Tension: 48.5 dyne/cm; (17)Density: 1.246 g/cm³; (18)Flash Point: 184.7 °C; (19)Enthalpy of Vaporization: 55.18 kJ/mol; (20)Boiling Point: 331.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000291 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1c2cnnc2C
(2) InChI: InChI=1/C10H9ClN2/c1-7-9(6-12-13-7)8-4-2-3-5-10(8)11/h2-6H,1H3,(H,12,13)
(3) InChIKey: COMPGPWYKZNXNH-UHFFFAOYAW