Boronic acid,B-(3-chloro-2-fluorophenyl)- supplier

Name
3-CHLORO-2-FLUOROPHENYLBORONIC ACID
EINECS
CAS No. 352535-82-1
Article Data6
CAS DataBase
Density 1.41 g/cm³
Solubility Insoluble in water. Soluble in organic solvents.
Melting Point 223 °C (dec.)(lit.)
Formula C₆H₅BClFO₂
Boiling Point 315.1 °C at 760 mmHg
Molecular Weight 174.367
Flash Point 144.4 °C
Transport Information
Appearance white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (3-chloro-2-fluorophenyl)- (9CI);(3-Chloro-2-fluorophenyl)boronic acid;3-Chloro-2-fluorobenzeneboronic acid;
PSA 40.46000
LogP 0.15890

Boronic acid,B-(3-chloro-2-fluorophenyl)- Specification

The Boronic acid,B-(3-chloro-2-fluorophenyl)-, with the CAS registry number 352535-82-1, has the systematic name and IUPAC name of (3-chloro-2-fluorophenyl)boronic acid. It is a kind of irritant chemical, and belongs to the following product categories: Blocks; Boronic Acids; Fluoro Compounds; Aryl; Boronic Acids; Boronic Acids and Derivatives. And the molecular formula of the chemical is C₆H₅BClFO₂.

The characteristics of Boronic acid,B-(3-chloro-2-fluorophenyl)- are as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 35.19; (6)ACD/BCF (pH 7.4): 16.8; (7)ACD/KOC (pH 5.5): 443.39; (8)ACD/KOC (pH 7.4): 211.7; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 38.22 cm³; (15)Molar Volume: 123.1 cm³; (16)Polarizability: 15.15×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 144.4 °C; (20)Enthalpy of Vaporization: 58.74 kJ/mol; (21)Boiling Point: 315.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000188 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(cccc1Cl)B(O)O
(2)InChI: InChI=1/C6H5BClFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H
(3)InChIKey: SUYRGLRWMPEARP-UHFFFAOYAN

Product Name

3-CHLORO-2-FLUOROPHENYLBORONIC ACID

Boronic acid,B-(3-chloro-2-fluorophenyl)- Specification

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