[1,1'-Biphenyl]-4-carboxaldehyde,4'-ethyl- supplier

Name
4'-ETHYLBIPHENYL-4-CARBOXALDEHYDE
EINECS
CAS No. 101002-44-2
Article Data15
CAS DataBase
Density 1.055 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₄O
Boiling Point 349.1 °C at 760 mmHg
Molecular Weight 210.276
Flash Point 182.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,4'-Ethylbiphenylaldehyde;
PSA 17.07000
LogP 3.72850

[1,1'-Biphenyl]-4-carboxaldehyde,4'-ethyl- Specification

The [1,1'-Biphenyl]-4-carboxaldehyde,4'-ethyl-, with its CAS registry number 101002-44-2, has the systematic name of 4'-ethylbiphenyl-4-carbaldehyde. And it has the molecular formula of C₁₅H₁₄O and the molecular weight of 210.27. Besides, it belongs to the product categories which include Biphenyl Derivatives.

The characteristics of [1,1'-Biphenyl]-4-carboxaldehyde,4'-ethyl- are as follows: (1)ACD/LogP: 4.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.82; (4)ACD/LogD (pH 7.4): 4.82; (5)ACD/BCF (pH 5.5): 2705.7; (6)ACD/BCF (pH 7.4): 2705.7; (7)ACD/KOC (pH 5.5): 9963.71; (8)ACD/KOC (pH 7.4): 9963.71; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 67.14 cm³; (15)Molar Volume: 199.2 cm³; (16)Polarizability: 26.61×10^-24cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.055 g/cm³; (19)Flash Point: 182.3 °C; (20)Enthalpy of Vaporization: 59.36 kJ/mol; (21)Boiling Point: 349.1 °C at 760 mmHg; (22)Vapour Pressure: 4.81E-05 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=Cc2ccc(c1ccc(cc1)CC)cc2
(2)InChI:InChI=1/C15H14O/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-11H,2H2,1H3
(3)InChIKey:BKSIRMWDRXUHEK-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C15H14O/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-11H,2H2,1H3
(5)Std. InChIKey:BKSIRMWDRXUHEK-UHFFFAOYSA-N

Product Name

4'-ETHYLBIPHENYL-4-CARBOXALDEHYDE

[1,1'-Biphenyl]-4-carboxaldehyde,4'-ethyl- Specification

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