Ethanone,1-(2'-methyl[1,1'-biphenyl]-4-yl)- supplier

Name
1-(2'-METHYL[1,1'-BIPHENYL]-4-YL)ETHANONE
EINECS
CAS No. 56917-39-6
Article Data112
CAS DataBase
Density 1.038g/cm³
Solubility
Melting Point
Formula C₁₅H₁₄O
Boiling Point 324 °C at 760 mmHg
Molecular Weight 210.276
Flash Point 137.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Acetophenone,4'-o-tolyl- (7CI);4-Acetyl-2'-methyl-1,1'-biphenyl;4-Acetyl-2'-methylbiphenyl;
PSA 17.07000
LogP 3.86460

Ethanone,1-(2'-methyl[1,1'-biphenyl]-4-yl)- Specification

The Ethanone,1-(2'-methyl[1,1'-biphenyl]-4-yl)-, with CAS registry number 56917-39-6, has the systematic name of 1-(2'-methylbiphenyl-4-yl)ethanone. Besides this, it is also called 4-Acetyl-2'-methyl-1,1'-biphenyl. And the chemical formula of this chemical is C₁₅H₁₄O.

Physical properties of Ethanone,1-(2'-methyl[1,1'-biphenyl]-4-yl)-: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 614.08; (6)ACD/BCF (pH 7.4): 614.08; (7)ACD/KOC (pH 5.5): 3446.8; (8)ACD/KOC (pH 7.4): 3446.8; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 65.69 cm³; (15)Molar Volume: 202.5 cm³; (16)Polarizability: 26.04×10^-24cm³; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.038 g/cm³; (19)Flash Point: 137.5 °C; (20)Enthalpy of Vaporization: 56.6 kJ/mol; (21)Boiling Point: 324 °C at 760 mmHg; (22)Vapour Pressure: 0.000253 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)c2ccccc2C)C
(2)InChI: InChI=1/C15H14O/c1-11-5-3-4-6-15(11)14-9-7-13(8-10-14)12(2)16/h3-10H,1-2H3
(3)InChIKey: LZJQPLYMITWEKM-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C15H14O/c1-11-5-3-4-6-15(11)14-9-7-13(8-10-14)12(2)16/h3-10H,1-2H3
(5)Std. InChIKey: LZJQPLYMITWEKM-UHFFFAOYSA-N

Product Name

1-(2'-METHYL[1,1'-BIPHENYL]-4-YL)ETHANONE

Ethanone,1-(2'-methyl[1,1'-biphenyl]-4-yl)- Specification

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