Product Name

  • Name

    3'-FORMYL[1,1'-BIPHENYL]-3-CARBOXYLIC ACID

  • EINECS
  • CAS No. 222180-19-0
  • Density 1.264g/cm3
  • Solubility
  • Melting Point 174 °C
  • Formula C14H10O3
  • Boiling Point 461.9 °C at 760 mmHg
  • Molecular Weight 226.232
  • Flash Point 247.3 °C
  • Transport Information
  • Appearance
  • Safety 61
  • Risk Codes 22-51/53
  • Molecular Structure Molecular Structure of 222180-19-0 (3'-FORMYL[1,1'-BIPHENYL]-3-CARBOXYLIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms AKOS BAR-0092;AKOS B025024;3-FORMYL-BIPHENYL-3-CARBOXYLIC ACID;3-FORMYL[1,1-BIPHENYL]-3-CARBOXYLIC ACID;ART-CHEM-BB B025024;3-(3-Formylphenyl)benzoic acid;3-Carboxy-3-formylbiphenyl, 3-Carboxy-[1,1-biphenyl]-3-carboxaldehyde
  • PSA 54.37000
  • LogP 2.86430

[1,1'-Biphenyl]-3-carboxylicacid, 3'-formyl- Specification

The [1,1'-Biphenyl]-3-carboxylicacid, 3'-formyl-, with CAS registry number 222180-19-0, has the systematic name of 3'-formylbiphenyl-3-carboxylic acid. Besides this, it is also called 3'-Formyl[1,1'-biphenyl]-3-carboxylic acid. And the chemical formula of this chemical is C14H10O3.

Physical properties of [1,1'-Biphenyl]-3-carboxylicacid, 3'-formyl-: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 0.61; (5)ACD/BCF (pH 5.5): 10.66; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 74.25; (8)ACD/KOC (pH 7.4): 2.37; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 64.52 cm3; (15)Molar Volume: 178.9 cm3; (16)Polarizability: 25.58×10-24cm3; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 247.3 °C; (20)Enthalpy of Vaporization: 76.16 kJ/mol; (21)Boiling Point: 461.9 °C at 760 mmHg; (22)Vapour Pressure: 2.5E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(ccc1)c2cc(ccc2)C(=O)O
(2)InChI: InChI=1/C14H10O3/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17/h1-9H,(H,16,17)
(3)InChIKey: QOCUSJPHQSKJJR-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C14H10O3/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17/h1-9H,(H,16,17)
(5)Std. InChIKey: QOCUSJPHQSKJJR-UHFFFAOYSA-N

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