CAS No.612833-41-7,2-(BENZYLOXY)-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	612833-41-7
Name:	2-(BENZYLOXY)-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
Article Data:	2
Cas Database

Formula:	C₁₄H₁₂BF₃O₃
Molecular Weight:	296.054
Synonyms:	2-(Benzyloxy)-5-(trifluoromethyl)benzeneboronicacid;[2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid;[2-(Phenylmethoxy)-5-(trifluoromethyl)phenyl]boronic acid;
Density:	1.339 g/cm³
Boiling Point:	434.875 °C at 760 mmHg
Flash Point:	216.805 °C
PSA:	49.69000
LogP:	1.96420

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Specification

The 2-Benzyloxy-5-trifluoromethylphenylboronic acid, with the CAS registry number of 612833-41-7, is also known as [2-(Phenylmethoxy)-5-(trifluoromethyl)phenyl]boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Fluoro Compounds; Aryl; Organoborons. This chemical's molecular formula is C₁₄H₁₂BF₃O₃ and molecular weight is 296.05. What's more, its systematic name is [2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid.

Physical properties about 2-Benzyloxy-5-trifluoromethylphenylboronic acid are: (1)ACD/LogP: 3.62; (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): 1345; (6)ACD/BCF (pH 7.4): 826; (7)ACD/KOC (pH 5.5): 6026; (8)ACD/KOC (pH 7.4): 3703; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.69 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 69.358 cm³; (15)Molar Volume: 221.139 cm³; (16)Polarizability: 27.496×10^-24 cm³; (17)Surface Tension: 42.966 dyne/cm; (18)Density: 1.339 g/cm³; (19)Flash Point: 216.805 °C; (20)Enthalpy of Vaporization: 72.842 kJ/mol; (21)Boiling Point: 434.875 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2ccc(OCc1ccccc1)c(c2)B(O)O
(2) InChI: InChI=1/C14H12BF3O3/c16-14(17,18)11-6-7-13(12(8-11)15(19)20)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2
(3) InChIKey: NWZHBEJEZSNEIF-UHFFFAOYAF