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Basic information

  • Name:
  • Methanone,[1,1'-biphenyl]-4-ylphenyl-

  • Superlist Name:
  • 4-Benzoylbiphenyl
  • CAS No.:
  • 2128-93-0

  • Molecular Structure:
  • Formula:
  • C19H14O
  • Molecular Weight:
  • 258.32 .
  • Synonyms:
  • Benzophenone,4-phenyl- (6CI,7CI,8CI);(Biphenyl-4-yl)(phenyl)methanone;4-(Phenylcarbonyl)biphenyl;4-Biphenylyl phenyl ketone;4-Phenylbenzophenone;4-Phenylphenyl phenyl methanone;Eusolex 3490;GenocurePBZ;NSC 55283;NSC 97365;Phenyl p-biphenylyl ketone;Speedcure BPZ;Trigonal12;p-Benzoylbiphenyl;p-Biphenylyl phenyl ketone;p-Phenylbenzophenone;
  • EINECS:
  • 218-345-2
  • Density:
  • 1.266 g/cm3
  • Melting Point:
  • 99-101 °C
  • Boiling Point:
  • 419.1 °C at 760 mmHg
  • Flash Point:
  • 190.7 °C
  • Appearance:
  • off white crystalline powder
  • Hazard Symbols:
  • IrritantXi,HarmfulXn
  • Risk Codes:
  • 20/21/22-36/37/38
  • Safety Description:
  • 24/25-36-26 Details

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Specification

The 4-Benzoylbiphenyl, with the CAS registry number 2128-93-0, is also known as ((1,1'-Biphenyl)-4-yl)phenylmethanone. It belongs to the product categories of Photo Initiators; Fine Chemical & Intermediates; Biphenyl Derivatives. Its EINECS registry number is 218-345-2. This chemical's molecular formula is C19H14O and molecular weight is 258.31. Its IUPAC name is called phenyl-(4-phenylphenyl)methanone. This chemical's classification code is Drug / Therapeutic Agent. It  is used for pharmaceutical intermediates and uv-curable initiator.

Physical properties of 4-Benzoylbiphenyl: (1)ACD/LogP: 5.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.37; (4)ACD/LogD (pH 7.4): 5.37; (5)ACD/BCF (pH 5.5): 7054.45; (6)ACD/BCF (pH 7.4): 7054.45; (7)ACD/KOC (pH 5.5): 19784.31; (8)ACD/KOC (pH 7.4): 19784.31; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 80.63 cm3; (13)Molar Volume: 232.8 cm3; (14)Surface Tension: 44.1 dyne/cm; (15)Density: 1.109 g/cm3; (16)Flash Point: 184.3 °C; (17)Enthalpy of Vaporization: 67.28 kJ/mol; (18)Boiling Point: 419.1 °C at 760 mmHg; (19)Vapour Pressure: 3.11E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-Phenyl-benzhydrol. This reaction will need reagent KNa4[Ag(HIO6)2]•12H2O and solvent H2O. The yield is about 100%.

Uses of 4-Benzoylbiphenyl: it can be used to produce 4-phenyl-thiobenzophenone at temperature of -5 °C. This reaction will need reagent HCl, H2S and solvent ethanol with reaction time of 24 hours.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. Finally, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
(2)InChI: InChI=1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
(3)InChIKey: LYXOWKPVTCPORE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 326, 1985.

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