CAS No.198205-95-7,2'-TRIFLUOROMETHYL-BIPHENYL-4-CARBALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	198205-95-7
Name:	2'-TRIFLUOROMETHYL-BIPHENYL-4-CARBALDEHYDE
Article Data:	7

Formula:	C₁₄H₉F₃O
Molecular Weight:	250.22
Synonyms:	2'-Trifluoromethyl-biphenyl-4-carbaldehyde;2'-(Trifluoromethyl)biphenyl-4-carboxaldehyde;2'-Trifluoromethyl-1,1'-biphenyl-4-carboxaldehyde;
Density:	1.251 g/cm³
Boiling Point:	338.8 °C at 760 mmHg
Flash Point:	163.3 °C
Hazard Symbols:	Xi
Risk Codes:	36
PSA:	17.07000
LogP:	4.18490

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Specification

The CAS register number of [1,1'-Biphenyl]-4-carboxaldehyde,2'-(trifluoromethyl)- is 198205-95-7. It also can be called as 2'-Trifluoromethyl-biphenyl-4-carbaldehyde and the IUPAC name about this chemical is 4-[2-(trifluoromethyl)phenyl]benzaldehyde. The molecular formula about this chemical is C₁₄H₉F₃O and the molecular weight is 250.22. It belongs to the Biphenyl & Diphenyl ether.

Physical properties about [1,1'-Biphenyl]-4-carboxaldehyde,2'-(trifluoromethyl)- are: (1)ACD/LogP: 4.80; (2)ACD/LogD (pH 5.5): 4.8; (3)ACD/LogD (pH 7.4): 4.8; (4)ACD/BCF (pH 5.5): 2613.96; (5)ACD/BCF (pH 7.4): 2613.96; (6)ACD/KOC (pH 5.5): 9720.72; (7)ACD/KOC (pH 7.4): 9720.72; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07Å²; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 62.57 cm³; (13)Molar Volume: 199.8 cm³; (14)Polarizability: 24.8x10^-24cm³; (15)Surface Tension: 34 dyne/cm; (16)Flash Point: 163.3 °C; (17)Enthalpy of Vaporization: 58.22 kJ/mol; (18)Boiling Point: 338.8 °C at 760 mmHg; (19)Vapour Pressure: 9.58E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2ccccc2c1ccc(C=O)cc1
(2)InChI: InChI=1/C14H9F3O/c15-14(16,17)13-4-2-1-3-12(13)11-7-5-10(9-18)6-8-11/h1-9H
(3)InChIKey: SDDRLRQYSYHJED-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H9F3O/c15-14(16,17)13-4-2-1-3-12(13)11-7-5-10(9-18)6-8-11/h1-9H
(5)Std. InChIKey: SDDRLRQYSYHJED-UHFFFAOYSA-N