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4'-Trifluoromethylbiphenyl-4-carbaldehyde

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Name

4'-Trifluoromethylbiphenyl-4-carbaldehyde

EINECS 618-368-1
CAS No. 90035-34-0 Density 1.252 g/cm3
PSA 17.07000 LogP 4.18490
Solubility N/A Melting Point 70-72 °C
Formula C14H9F3O Boiling Point 319.678 °C at 760 mmHg
Molecular Weight 250.22 Flash Point 156.624 °C
Transport Information N/A Appearance off-white solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 90035-34-0 (4'-TRIFLUOROMETHYL-BIPHENYL-4-CARBALDEHYDE) Hazard Symbols IrritantXi
Synonyms

4'-(Trifluoromethyl)biphenyl-4-aldehyde;4'-Trifluoromethylbiphenyl-4-carboxaldehyde;4'-Trifluoromethyl-1,1'-biphenyl-4-carboxaldehyde;4-[4-(Trifluoromethyl)phenyl]benzaldehyde;

Article Data 45

4'-Trifluoromethylbiphenyl-4-carbaldehyde Specification

The [1,1'-Biphenyl]-4-carboxaldehyde,4'-(trifluoromethyl)-, with the CAS registry number 90035-34-0, is also known as 4'-Trifluoromethyl-1,1'-biphenyl-4-carboxaldehyde. It belongs to the product categories of Pharmacetical; Aldehydes; Phenyls & Phenyl-Het; Biphenyl & Diphenyl ether; Chiral chemicals. This chemical's molecular formula is C14H9F3O and molecular weight is 250.22. What's more, its systematic name is 4-[4-(trifluoromethyl)phenyl]benzaldehyde.

Physical properties of [1,1'-Biphenyl]-4-carboxaldehyde,4'-(trifluoromethyl)- are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 186.503; (6)ACD/BCF (pH 7.4): 186.503; (7)ACD/KOC (pH 5.5): 1468.805; (8)ACD/KOC (pH 7.4): 1468.805; (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: 1.539; (14)Molar Refractivity: 62.577 cm3; (15)Molar Volume: 199.895 cm3; (16)Polarizability: 24.808×10-24cm3; (17)Surface Tension: 34.058 dyne/cm; (18)Density: 1.252 g/cm3; (19)Flash Point: 156.624 °C; (20)Enthalpy of Vaporization: 56.128 kJ/mol; (21)Boiling Point: 319.678 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C=O)c2ccc(cc2)C(F)(F)F
(2)Std. InChI: InChI=1S/C14H9F3O/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-9H
(3)Std. InChIKey: HIMSXOOFWOOYFK-UHFFFAOYSA-N

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