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Boronic acid,[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]- (9CI) (364590-93-2)

Identification
Name:Boronic acid,[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]- (9CI)
Synonyms:[4-(4-Trifluoromethylphenyl)phenyl]boronicacid;AKOS BRN-1044;
CAS:364590-93-2
Molecular Formula: C13 H10 B F3 O2
Molecular Weight: 266.0235096
InChI: InChI=1/C13H10BF3O2/c15-13(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18)19/h1-8,18-19H
Molecular Structure: (C13H10BF3O2) [4-(4-Trifluoromethylphenyl)phenyl]boronicacid;AKOS BRN-1044;
Properties
Density:1.338g/cm3
Refractive index:1.547
Specification:

The 4'-(Trifluoromethyl)-4-biphenylboronic acid with cas registry number of 364590-93-2, is also called [4-(4-Trifluoromethylphenyl)phenyl]boronicacid ; AKOS BRN-1044 .

Physical properties of 4'-(Trifluoromethyl)-4-biphenylboronic acid :(1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1122; (6)ACD/BCF (pH 7.4): 1035; (7)ACD/KOC (pH 5.5): 5305; (8)ACD/KOC (pH 7.4): 4893; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 62.985 cm3; (15)Molar Volume: 198.755 cm3; (16)Polarizability: 24.969×10-24cm3; (17)Surface Tension: 41.926 dyne/cm; (18)Enthalpy of Vaporization: 65.444 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:FC(F)(F)c1ccc(cc1)c2ccc(cc2)B(O)O; (2)InChI:InChI=1/C13H10BF3O2/c15-13(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18)19/h1-8,18-19H; (3)InChIKey:VXRWBTTXNCRCPS-UHFFFAOYAJ; (4)Std. InChI:InChI=1S/C13H10BF3O2/c15-13(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18)19/h1-8,18-19H; (5)Std. InChIKey:VXRWBTTXNCRCPS-UHFFFAOYSA-N.

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