Product Name

  • Name

    3'-CHLORO-BIPHENYL-2-CARBALDEHYDE

  • EINECS 200-589-5
  • CAS No. 216443-25-3
  • Article Data13
  • CAS DataBase
  • Density 1.214g/cm3
  • Solubility
  • Melting Point
  • Formula C13H9ClO
  • Boiling Point 363.5 °C at 760 mmHg
  • Molecular Weight 216.667
  • Flash Point 187.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 216443-25-3 (3'-CHLORO-BIPHENYL-2-CARBALDEHYDE)
  • Hazard Symbols IrritantXi
  • Synonyms 3-CHLORO-BIPHENYL-2-CARBALDEHYDE;3-CHLORO[1,1-BIPHENYL]-2-CARBALDEHYDE;3-CHLORO-[1,1-BIPHENYL]-2-CARBOXALDEHYDE;AKOS BAR-0182;2-chloro-6-phenylbenzaldehyde
  • PSA 17.07000
  • LogP 3.81950

[1,1'-Biphenyl]-2-carboxaldehyde,3'-chloro- Specification

The [1,1'-Biphenyl]-2-carboxaldehyde,3'-chloro-, with CAS registry number 216443-25-3, has the systematic name of 3'-chlorobiphenyl-2-carbaldehyde. Besides this, it is also called 3'-Chloro-[1,1'-biphenyl]-2-carboxaldehyde. And the chemical formula of this chemical is C13H9ClO.

Physical properties of [1,1'-Biphenyl]-2-carboxaldehyde,3'-chloro-: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 359.18; (6)ACD/BCF (pH 7.4): 359.18; (7)ACD/KOC (pH 5.5): 2348; (8)ACD/KOC (pH 7.4): 2348; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 62.49 cm3; (15)Molar Volume: 178.3 cm3; (16)Polarizability: 24.77×10-24cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.214 g/cm3; (19)Flash Point: 187.3 °C; (20)Enthalpy of Vaporization: 60.95 kJ/mol; (21)Boiling Point: 363.5 °C at 760 mmHg; (22)Vapour Pressure: 1.8E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c1c(C=O)cccc1)ccc2
(2)InChI: InChI=1/C13H9ClO/c14-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-15/h1-9H
(3)InChIKey: QPYBBMYVPFPRHE-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H9ClO/c14-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-15/h1-9H
(5)Std. InChIKey: QPYBBMYVPFPRHE-UHFFFAOYSA-N

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