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5002-07-3

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Basic Information
CAS No.: 5002-07-3
Name: 1-(4'-CHLORO-BIPHENYL-4-YL)-ETHANONE
Article Data: 100
Molecular Structure:
Molecular Structure of 5002-07-3 (1-(4'-CHLORO-BIPHENYL-4-YL)-ETHANONE)
Formula: C14H11ClO
Molecular Weight: 230.694
Synonyms: Acetophenone,4'-(p-chlorophenyl)- (6CI,7CI,8CI);1-(4'-Chloro[1,1'-biphenyl]-4-yl)ethanone;4-Acetyl-4'-chlorobiphenyl;4'-(4-Chlorophenyl)acetophenone;4'-Chloro-4-acetylbiphenyl;
Density: 1.163 g/cm3
Boiling Point: 353.2 °C at 760 mmHg
Flash Point: 193.2 °C
Hazard Symbols: IrritantXi
PSA: 17.07000
LogP: 4.20960
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Specification

The CAS register number of Ethanone,1-(4'-chloro[1,1'-biphenyl]-4-yl)- is 5002-07-3. It also can be called as 4-Acetyl-4'-chlorobiphenyl and the systematic name about this chemical is 1-(4'-chlorobiphenyl-4-yl)ethanone. The molecular formula about this chemical is C14H11ClO and the molecular weight is 230.69. This chemical is irritant. It may cause inflammation to the skin or other mucous membranes.

Physical properties about Ethanone,1-(4'-chloro[1,1'-biphenyl]-4-yl)- are: (1)ACD/LogP: 4.08; (2)ACD/LogD (pH 5.5): 4.08; (3)ACD/LogD (pH 7.4): 4.08; (4)ACD/BCF (pH 5.5): 744.56; (5)ACD/BCF (pH 7.4): 744.56; (6)ACD/KOC (pH 5.5): 3956.46; (7)ACD/KOC (pH 7.4): 3956.46; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 65.76 cm3; (13)Molar Volume: 198.1 cm3; (14)Polarizability: 26.07x10-24cm3; (15)Surface Tension: 41 dyne/cm; (16)Density: 1.163 g/cm3; (17)Flash Point: 193.2 °C; (18)Enthalpy of Vaporization: 59.81 kJ/mol; (19)Boiling Point: 353.2 °C at 760 mmHg; (20)Vapour Pressure: 3.65E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1ccc(C(=O)C)cc1)cc2
(2)InChI: InChI=1/C14H11ClO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3
(3)InChIKey: NPGUSEJJJVVVME-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H11ClO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3
(5)Std. InChIKey: NPGUSEJJJVVVME-UHFFFAOYSA-N