-
Name
3-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER
- EINECS 675-106-9
- CAS No. 325142-82-3
- Article Data47
- CAS DataBase
- Density 1.14 g/cm3
- Solubility
- Melting Point 43 °C
- Formula C13H16BF3O2
- Boiling Point 297.3 °C at 760 mmHg
- Molecular Weight 272.075
- Flash Point 133.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes 22
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms 4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane;3-Trifluoromethylphenylboronic acid, pinacol ester;
- PSA 18.46000
- LogP 3.00460
1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)phenyl]- 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
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