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| CAS No.: | 352535-85-4 |
|---|---|
| Name: | 2-CHLORO-6-FLUORO-3-METHYLPHENYLBORONIC& |
| Molecular Structure: | |
|
|
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| Formula: | C7H7BClFO2 |
| Molecular Weight: | 188.394 |
| Synonyms: | Boronicacid, (2-chloro-6-fluoro-3-methylphenyl)- (9CI);(2-chloro-6-fluoro-3-methylphenyl)boronic acid;boronic acid, B-(2-chloro-6-fluoro-3-methylphenyl)-; |
| EINECS: | 252-469-8 |
| Density: | 1.35 g/cm3 |
| Melting Point: | 150-154 °C(lit.) |
| Boiling Point: | 321.5 °C at 760 mmHg |
| Flash Point: | 148.3 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 40.46000 |
| LogP: | 0.46730 |
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Specification
The Boronic acid,B-(2-chloro-6-fluoro-3-methylphenyl)-, with the CAS registry number 352535-85-4, has the systematic name and IUPAC name of (2-chloro-6-fluoro-3-methylphenyl)boronic acid. It belongs to the following product categories: Blocks; Boronic Acids; Fluoro Compounds; Aryl; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids. And the molecular formula of the chemical is C7H7BClFO2.
The characteristics of Boronic acid,B-(2-chloro-6-fluoro-3-methylphenyl)- are as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.528; (8)Molar Refractivity: 42.85 cm3; (9)Molar Volume: 139.1 cm3; (10)Polarizability: 16.98×10-24cm3; (11)Surface Tension: 42 dyne/cm; (12)Density: 1.35 g/cm3; (13)Flash Point: 148.3 °C; (14)Enthalpy of Vaporization: 59.47 kJ/mol; (15)Boiling Point: 321.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000122 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(B(O)O)c(Cl)c(cc1)C
(2)InChI: InChI=1/C7H7BClFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,11-12H,1H3
(3)InChIKey: FOZVMQJCNIKFOB-UHFFFAOYAO