CAS No.325142-82-3,3-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	325142-82-3
Name:	3-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER
Article Data:	47

Formula:	C₁₃H₁₆BF₃O₂
Molecular Weight:	272.075
Synonyms:	4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane;3-Trifluoromethylphenylboronic acid, pinacol ester;
EINECS:	675-106-9
Density:	1.14 g/cm³
Melting Point:	43 °C
Boiling Point:	297.3 °C at 760 mmHg
Flash Point:	133.6 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	18.46000
LogP:	3.00460

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Specification

The CAS register number of 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)phenyl]- is 325142-82-3. It also can be called as 3-Trifluoromethylphenylboronic acid, pinacol ester and the systematic name about this chemical is 4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane. The molecular formula about this chemical is C₁₃H₁₆BF₃O₂ and the molecular weight is 272.07.

Physical properties about 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)phenyl]- are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 1; (3)Polar Surface Area: 18.46Å²; (4)Index of Refraction: 1.456; (5)Molar Refractivity: 64.44 cm³; (6)Molar Volume: 236.8 cm³; (7)Polarizability: 25.54x10^-24cm³; (8)Surface Tension: 27.7 dyne/cm; (9)Flash Point: 133.6 °C; (10)Enthalpy of Vaporization: 51.56 kJ/mol; (11)Boiling Point: 297.3 °C at 760 mmHg; (12)Vapour Pressure: 0.00241 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2cccc(B1OC(C)(C)C(O1)(C)C)c2
(2)InChI: InChI=1/C13H16BF3O2/c1-11(2)12(3,4)19-14(18-11)10-7-5-6-9(8-10)13(15,16)17/h5-8H,1-4H3
(3)InChIKey: GJNOCGLTCQPYAC-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C13H16BF3O2/c1-11(2)12(3,4)19-14(18-11)10-7-5-6-9(8-10)13(15,16)17/h5-8H,1-4H3
(5)Std. InChIKey: GJNOCGLTCQPYAC-UHFFFAOYSA-N