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CAS No.: | 90035-34-0 |
---|---|
Name: | 4'-TRIFLUOROMETHYL-BIPHENYL-4-CARBALDEHYDE |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C14H9F3O |
Molecular Weight: | 250.22 |
Synonyms: | 4'-(Trifluoromethyl)biphenyl-4-aldehyde;4'-Trifluoromethylbiphenyl-4-carboxaldehyde;4'-Trifluoromethyl-1,1'-biphenyl-4-carboxaldehyde;4-[4-(Trifluoromethyl)phenyl]benzaldehyde; |
EINECS: | 618-368-1 |
Density: | 1.252 g/cm3 |
Melting Point: | 70-72 °C |
Boiling Point: | 319.678 °C at 760 mmHg |
Flash Point: | 156.624 °C |
Appearance: | off-white solid |
Hazard Symbols: | Xi |
PSA: | 17.07000 |
LogP: | 4.18490 |
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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