2-Methyl-5-(trifluoromethyl)phenylboronic acid supplier

Name
2-Methyl-5-trifluoromethyl-phenylboronic acid
EINECS
CAS No. 947533-96-2
Density 1.31 g/cm³
Solubility
Melting Point
Formula C₈H₈BF₃O₂
Boiling Point 287 °C at 760 mmHg
Molecular Weight 203.9541296
Flash Point 127.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-5-trifluoromethyl-phenylboronic acid
PSA 40.46000
LogP 0.69360

2-Methyl-5-(trifluoromethyl)phenylboronic acid Specification

The 2-Methyl-5-(trifluoromethyl)phenylboronic acid is an organic compound with the formula C₈H₈BF₃O₂. The systematic name of this chemical is [2-methyl-5-(trifluoromethyl)phenyl]boronic acid. With the CAS registry number 947533-96-2, it is also named as boronic acid, B-[2-methyl-5-(trifluoromethyl)phenyl]-.

Physical properties about 2-Methyl-5-(trifluoromethyl)phenylboronic acid are: (1)ACD/LogP: 2.62; (2)ACD/LogD (pH 5.5): 2.62; (3)ACD/LogD (pH 7.4): 2.42; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 40.46 Å²; (8)Index of Refraction: 1.464; (9)Molar Refractivity: 42.9 cm³; (10)Molar Volume: 155.3 cm³; (11)Polarizability: 17×10^-24cm³; (12)Surface Tension: 32.9 dyne/cm; (13)Density: 1.31 g/cm³; (14)Flash Point: 127.4 °C; (15)Enthalpy of Vaporization: 55.57 kJ/mol; (16)Boiling Point: 287 °C at 760 mmHg; (17)Vapour Pressure: 0.00119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(ccc1C)C(F)(F)F)(O)O
(2)InChI: InChI=1/C8H8BF3O2/c1-5-2-3-6(8(10,11)12)4-7(5)9(13)14/h2-4,13-14H,1H3
(3)InChIKey: WFARXIDYQNIXLI-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H8BF3O2/c1-5-2-3-6(8(10,11)12)4-7(5)9(13)14/h2-4,13-14H,1H3
(5)Std. InChIKey: WFARXIDYQNIXLI-UHFFFAOYSA-N

Product Name

2-Methyl-5-trifluoromethyl-phenylboronic acid

2-Methyl-5-(trifluoromethyl)phenylboronic acid Specification

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