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5748-36-7

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Basic Information
CAS No.: 5748-36-7
Name: 3'-CHLOROBIPHENYL-4-YLAMINE
Article Data: 17
Molecular Structure:
Molecular Structure of 5748-36-7 (3'-CHLOROBIPHENYL-4-YLAMINE)
Formula: C12H10ClN
Molecular Weight: 203.67
Synonyms: 4-Biphenylamine,3'-chloro- (7CI,8CI);4-Amino-3'-chlorobiphenyl;
Density: 1.205g/cm3
Boiling Point: 341.1 °C at 760 mmHg
Flash Point: 160.1 °C
Hazard Symbols: IrritantXi
PSA: 26.02000
LogP: 4.17040
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Specification

The [1,1'-Biphenyl]-4-amine,3'-chloro-, with CAS registry number 5748-36-7, has the systematic name of 3'-chlorobiphenyl-4-amine. Besides this, it is also called 3'-Chloro-[1,1'-biphenyl]-4-amine. Its molecular weight is 203.67. And the chemical formula of this chemical is C12H10ClN.

Physical properties of [1,1'-Biphenyl]-4-amine,3'-chloro-: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 191.98; (6)ACD/BCF (pH 7.4): 201.58; (7)ACD/KOC (pH 5.5): 1478.66; (8)ACD/KOC (pH 7.4): 1552.59; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 59.97 cm3; (15)Molar Volume: 168.9 cm3; (16)Polarizability: 23.77×10-24cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.205 g/cm3; (19)Flash Point: 160.1 °C; (20)Enthalpy of Vaporization: 58.48 kJ/mol; (21)Boiling Point: 341.1 °C at 760 mmHg; (22)Vapour Pressure: 8.21E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c1ccc(N)cc1)ccc2
(2)InChI: InChI=1/C12H10ClN/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8H,14H2
(3)InChIKey: PJRIDSFGNYBNEE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H10ClN/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8H,14H2
(5)Std. InChIKey: PJRIDSFGNYBNEE-UHFFFAOYSA-N