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63418-93-9

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Basic Information
CAS No.: 63418-93-9
Name: 3-chloro-2-(4-chlorophenyl)-4,5,6,7-tetrahydro-2H-indazole
Molecular Structure:
Molecular Structure of 63418-93-9 (3-chloro-2-(4-chlorophenyl)-4,5,6,7-tetrahydro-2H-indazole)
Formula: C13H12Cl2N2
Molecular Weight: 267.1538
Synonyms: 3-Chloro-2-(4-chlorophenyl)-4, 5, 6 ,7-tetrahydro-2H-indazole;
Density: 1.4 g/cm3
Boiling Point: 397 °C at 760 mmHg
Flash Point: 193.9 °C
PSA: 17.82000
LogP: 4.05790
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Specification

The 3-Chloro-2-(4-chlorophenyl)-4, 5, 6, 7-tetrahydroindazole, with the CAS registry number 63418-93-9, is also known as 3-Chloro-2-(4-chlorophenyl)-4, 5, 6 ,7-tetrahydro-2H-indazole. This chemical's molecular formula is C13H12Cl2N2 and molecular weight is 267.1538. What's more, its IUPAC name is 3-Chloro-2-(4-chlorophenyl)-4, 5, 6, 7-tetrahydroindazole.

Physical properties about 3-Chloro-2-(4-chlorophenyl)-4, 5, 6, 7-tetrahydroindazole are: (1)ACD/LogP: 4.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.99; (4)ACD/LogD (pH 7.4): 4.99; (5)ACD/BCF (pH 5.5): 3659.31; (6)ACD/BCF (pH 7.4): 3659.32; (7)ACD/KOC (pH 5.5): 12367.32; (8)ACD/KOC (pH 7.4): 12367.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 71.01 cm3; (15)Molar Volume: 190.4 cm3; (16)Polarizability: 28.15×10-24 cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.4 g/cm3; (19)Flash Point: 193.9 °C; (20)Enthalpy of Vaporization: 62.21 kJ/mol; (21)Boiling Point: 397 °C at 760 mmHg; (22)Vapour Pressure: 3.75E-06 mmHg at 25 °C.

Uses of 3-Chloro-2-(4-chlorophenyl)-4, 5, 6, 7-tetrahydroindazole: it is used to produce other chemicals. For example, it is used to produce 2-(4-Chloro-phenyl)-3-methylsulfanyl-4, 5, 6, 7-tetrahydro-2H-indazole. The reaction needs solvent Dimethylformamide. The reaction time is 22 hours with reaction temperature of 20 °C. The yield is about 85 %.

3-Chloro-2-(4-chlorophenyl)-4, 5, 6, 7-tetrahydroindazole can react with Sodium thiomethoxide to get 2-(4-Chloro-phenyl)-3-methylsulfanyl-4, 5, 6, 7-tetrahydro-2H-indazole.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc3ccc(n1nc2c(c1Cl)CCCC2)cc3
(2) InChI: InChI=1/C13H12Cl2N2/c14-9-5-7-10(8-6-9)17-13(15)11-3-1-2-4-12(11)16-17/h5-8H,1-4H2
(3) InChIKey: OBXJBOMYWFIMQX-UHFFFAOYAZ