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