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Ethanone,1-(4-chlorophenyl)-2-hydroxy-2-phenyl-

  • Name Ethanone,1-(4-chlorophenyl)-2-hydroxy-2-phenyl-
  • EINECSN/A
  • CAS No. 39774-18-0
  • Density1.286 g/cm3
  • PSA37.30000
  • LogP3.25630
  • SolubilityN/A
  • Melting Point89-93 °C
  • FormulaC14H11ClO2
  • Boiling Point407.098 °C at 760 mmHg
  • Molecular Weight246.693
  • Flash Point200.006 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety36/37
  • Risk Codes22
  • Molecular Structure
    Molecular Structure of 39774-18-0 (4-CHLOROBENZOIN)
  • Hazard SymbolsHarmfulXn
  • SynonymsHarmfulXn
  • Article Data13

Ethanone,1-(4-chlorophenyl)-2-hydroxy-2-phenyl- Specification

The Ethanone,1-(4-chlorophenyl)-2-hydroxy-2-phenyl-, with the CAS registry number 39774-18-0, is also known as 4-Chlorobenzoin. This chemical's molecular formula is C14H11ClO2 and molecular weight is 246.69. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Chlorophenyl)-2-hydroxy-2-phenylethanone. When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health if swallowed. Therefore, you should wear suitable protective clothing and gloves.

Physical properties about Ethanone,1-(4-chlorophenyl)-2-hydroxy-2-phenyl-: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 81; (6)ACD/BCF (pH 7.4): 81; (7)ACD/KOC (pH 5.5): 810; (8)ACD/KOC (pH 7.4): 810; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3 Å2; (13) Index of Refraction: 1.618; (14)Molar Refractivity: 67.201 cm3; (15) Molar Volume: 191.871 cm3; (16)Surface Tension: 52.253 dyne/cm; (17)Density: 1.286 g/cm3; (18)Flash Point: 200.006 °C; (19)Enthalpy of Vaporization: 69.481 kJ/mol; (20)Boiling Point: 407.098 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C; (22)Melting point: 89-93 °C. 

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1)C(O)c2ccccc2
(2) InChI: InChI=1/C14H11ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9,13,16H
(3) InChIKey: XYUKKJIDPMMCMJ-UHFFFAOYAI

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