Product Name

  • Name

    3-(3-METHYLPHENYL)BENZALDEHYDE

  • EINECS
  • CAS No. 216443-78-6
  • Article Data2
  • CAS DataBase
  • Density 1.074g/cm3
  • Solubility
  • Melting Point
  • Formula C14H12O
  • Boiling Point 337.3 °C at 760 mmHg
  • Molecular Weight 196.249
  • Flash Point 183.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 216443-78-6 (3-(3-METHYLPHENYL)BENZALDEHYDE)
  • Hazard Symbols IrritantXi
  • Synonyms 3-METHYLBIPHENYL-3-CARBALDEHYDE;3-METHYL-BIPHENYL-3-CARBOXALDEHYDE;3-METHYL[1,1-BIPHENYL]-3-CARBALDEHYDE;3-METHYL [1,1-BIPHENYL]-3-CARBOXALDEHYDE;AKOS BAR-0067;3-(3-METHYLPHENYL)BENZALDEHYDE;3-(3-Tolyl)benzaldehyde
  • PSA 17.07000
  • LogP 3.47450

[1,1'-Biphenyl]-3-carboxaldehyde,3'-methyl- Specification

The [1,1'-Biphenyl]-3-carboxaldehyde,3'-methyl-, with CAS registry number 216443-78-6, belongs to the following product category: Pharmacetical. It has the systematic name of 3'-methylbiphenyl-3-carbaldehyde. And the chemical formula of this chemical is C14H12O.

Physical properties of [1,1'-Biphenyl]-3-carboxaldehyde,3'-methyl-: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.14; (4)ACD/LogD (pH 7.4): 4.14; (5)ACD/BCF (pH 5.5): 821.21; (6)ACD/BCF (pH 7.4): 821.21; (7)ACD/KOC (pH 5.5): 4243.92; (8)ACD/KOC (pH 7.4): 4243.92; (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: 1.599; (14)Molar Refractivity: 62.42 cm3; (15)Molar Volume: 182.6 cm3; (16)Polarizability: 24.74×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.074 g/cm3; (19)Flash Point: 183.6 °C; (20)Enthalpy of Vaporization: 58.05 kJ/mol; (21)Boiling Point: 337.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000106 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2cc(c1cccc(c1)C)ccc2
(2)InChI: InChI=1/C14H12O/c1-11-4-2-6-13(8-11)14-7-3-5-12(9-14)10-15/h2-10H,1H3
(3)InChIKey: KAGSXBNQBKIILK-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C14H12O/c1-11-4-2-6-13(8-11)14-7-3-5-12(9-14)10-15/h2-10H,1H3
(5)Std. InChIKey: KAGSXBNQBKIILK-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View