CAS No.159020-59-4,3-FLUORO-5-(TRIFLUOROMETHYL)BENZENE BORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	159020-59-4
Name:	3-FLUORO-5-(TRIFLUOROMETHYL)BENZENE BORONIC ACID
Article Data:	2

Formula:	C₇H₅BF₄O₂
Molecular Weight:	207.92
Synonyms:	Boronicacid, [3-fluoro-5-(trifluoromethyl)phenyl]- (9CI);5-Fluoro-3-trifluoromethylbenzeneboronic acid;[3-Fluoro-5-(trifluoromethyl)phenyl]boronic acid;
Density:	1.44 g/cm³
Melting Point:	168°C(lit.)
Boiling Point:	264 °C at 760 mmHg
Flash Point:	113.5 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:Irritant/Keep Cold; Xi:Irritant/Keep Cold;
PSA:	40.46000
LogP:	0.52430

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Specification

The Boronic acid,B-[3-fluoro-5-(trifluoromethyl)phenyl]- is an organic compound with the formula C₇H₅BF₄O₂. The IUPAC name of this chemical is [3-Fluoro-5-(trifluoromethyl)phenyl]boronic acid. With the CAS registry number 159020-59-4, it is also named as 3-(Trifluoromethyl)-5-fluoro-phenylboronic acid. The product's categories are Blocks; BoronicAcids. Besides, it should be stored in a cool place.

Physical properties about Boronic acid,B-[3-fluoro-5-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.05; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 1.12; (4)ACD/BCF (pH 5.5): 19.54; (5)ACD/BCF (pH 7.4): 2.48; (6)ACD/KOC (pH 5.5): 284.64; (7)ACD/KOC (pH 7.4): 36.19; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 18.46 Å²; (12)Index of Refraction: 1.445; (13)Molar Refractivity: 38.39 cm³; (14)Molar Volume: 144 cm³; (15)Polarizability: 15.21 10^-24 cm³; (16)Surface Tension: 31.3 dyne/cm; (17)Density: 1.44 g/cm³; (18)Flash Point: 113.5 °C; (19)Enthalpy of Vaporization: 53.02 kJ/mol; (20)Boiling Point: 264 °C at 760 mmHg; (21)Vapour Pressure: 0.005 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H5BF4O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H
(2)InChIKey: WEMCWZGCSRGJGW-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C7H5BF4O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H
(4)Std. InChIKey: WEMCWZGCSRGJGW-UHFFFAOYSA-N