Boronic acid, B-[2-methyl-4-(trifluoromethyl)phenyl]- supplier

Name
2-Methyl-4-(trifluoromethyl)phenylboronic acid
EINECS
CAS No. 957034-45-6
Density 1.31 g/cm³
Solubility
Melting Point
Formula C₈H₈BF₃O₂
Boiling Point 271.9 °C at 760 mmHg
Molecular Weight 203.957
Flash Point 118.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-4-trifluoromethylbenzeneboronicacid;2-Methyl-4-(trifluoromethyl)phenylboronic acid;
PSA 40.46000
LogP 0.69360

Boronic acid, B-[2-methyl-4-(trifluoromethyl)phenyl]- Specification

The systematic name of Boronic acid, B-[2-methyl-4-(trifluoromethyl)phenyl]- is [2-methyl-4-(trifluoromethyl)phenyl]boronic acid. With the CAS registry number 957034-45-6, it is also named as 2-Methyl-4-(trifluoromethyl)benzeneboronic acid. The product's categories are Blocks; Boronic Acids; Aryl; Organoborons; Trifluoromethyl.

The other characteristics of Boronic acid, B-[2-methyl-4-(trifluoromethyl)phenyl]- can be summarized as: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.5; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 40.46 Å²; (9)Index of Refraction: 1.464; (10)Molar Refractivity: 42.9 cm³; (11)Molar Volume: 155.3 cm³; (12)Polarizability: 17×10^-24 cm³; (13)Surface Tension: 32.9 dyne/cm; (14)Density: 1.31 g/cm³; (15)Flash Point: 118.2 °C; (16)Enthalpy of Vaporization: 53.89 kJ/mol; (17)Boiling Point: 271.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00308 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:B(c1ccc(cc1C)C(F)(F)F)(O)O
2. InChI:InChI=1/C8H8BF3O2/c1-5-4-6(8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3
3. InChIKey:USEHFBIGOATLIA-UHFFFAOYAS
4. Std. InChI:InChI=1S/C8H8BF3O2/c1-5-4-6(8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3
5. Std. InChIKey:USEHFBIGOATLIA-UHFFFAOYSA-N

Product Name

2-Methyl-4-(trifluoromethyl)phenylboronic acid

Boronic acid, B-[2-methyl-4-(trifluoromethyl)phenyl]- Specification

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