Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | Xi | |
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 |
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