Ethanone,1-(3'-chloro[1,1'-biphenyl]-4-yl)- supplier

Name
1-(3'-CHLORO-BIPHENYL-4-YL)-ETHANONE
EINECS
CAS No. 5002-13-1
Article Data13
CAS DataBase
Density 1.163 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₁ClO
Boiling Point 356.4 °C at 760 mmHg
Molecular Weight 230.694
Flash Point 194.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4'-(3-Chlorophenyl)acetophenone;4-Acetyl-3'-chlorobiphenyl;3'-Chloro-4-acetylbiphenyl;Acetophenone,4'-(m-chlorophenyl)- (7CI,8CI);
PSA 17.07000
LogP 4.20960

Ethanone,1-(3'-chloro[1,1'-biphenyl]-4-yl)- Specification

The CAS register number of Ethanone,1-(3'-chloro[1,1'-biphenyl]-4-yl)- is 5002-13-1. It also can be called as 4'-(3-Chlorophenyl)acetophenone and the systematic name about this chemical is 1-(3'-chlorobiphenyl-4-yl)ethanone. The molecular formula about this chemical is C₁₄H₁₁ClO and the molecular weight is 230.69. This chemical is irritant.

Physical properties about Ethanone,1-(3'-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): 738.98; (5)ACD/BCF (pH 7.4): 738.98; (6)ACD/KOC (pH 5.5): 3935.22; (7)ACD/KOC (pH 7.4): 3935.22; (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: 194.4 °C; (18)Enthalpy of Vaporization: 60.17 kJ/mol; (19)Boiling Point: 356.4 °C at 760 mmHg; (20)Vapour Pressure: 2.92E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c1ccc(C(=O)C)cc1)ccc2
(2)InChI: InChI=1/C14H11ClO/c1-10(16)11-5-7-12(8-6-11)13-3-2-4-14(15)9-13/h2-9H,1H3
(3)InChIKey: DUFBYEORCCIAEY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H11ClO/c1-10(16)11-5-7-12(8-6-11)13-3-2-4-14(15)9-13/h2-9H,1H3
(5)Std. InChIKey: DUFBYEORCCIAEY-UHFFFAOYSA-N

Product Name

1-(3'-CHLORO-BIPHENYL-4-YL)-ETHANONE

Ethanone,1-(3'-chloro[1,1'-biphenyl]-4-yl)- Specification

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