3-Cyano-5-fluorophenylboronic acid supplier

Name
Boronic acid, (3-cyano-5-fluorophenyl)- (9CI)
EINECS
CAS No. 304858-67-1
Density 1.353 g/cm³
Solubility
Melting Point
Formula C₇H₅BFNO₂
Boiling Point 343.156 °C at 760 mmHg
Molecular Weight 164.93
Flash Point 161.335 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, (3-cyano-5-fluorophenyl)- (9CI);(3-Cyano-5-fluorophenyl)boronic acid;3-Cyano-5-fluorobenzeneboronic acid;3-Fluoro-5-cyanophenylboronic acid;5-Fluoro-3-cyanophenylboronic acid;
PSA 64.25000
LogP -0.62282

3-Cyano-5-fluorophenylboronic acid Specification

The Boronic acid,B-(3-cyano-5-fluorophenyl)-, with the CAS registry number 304858-67-1, has the the systematic name and IUPAC name of (3-cyano-5-fluorophenyl)boronic acid. It belongs to the product categories of Halide and Boronic acid. And the molecular formula of the chemical is C₇H₅BFNO₂.

The characteristics of Boronic acid,B-(3-cyano-5-fluorophenyl)- are as followings: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 49; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.25 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 37.968 cm³; (15)Molar Volume: 121.9 cm³; (16)Polarizability: 15.052×10^-24cm³; (17)Surface Tension: 51.598 dyne/cm; (18)Density: 1.353 g/cm³; (19)Flash Point: 161.335 °C; (20)Enthalpy of Vaporization: 61.95 kJ/mol; (21)Boiling Point: 343.156 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B(c1cc(cc(c1)F)C#N)(O)O
(2)InChI: InChI=1/C7H5BFNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3,11-12H
(3)InChIKey: DLYWCECHXBOCAS-UHFFFAOYAQ

Product Name

Boronic acid, (3-cyano-5-fluorophenyl)- (9CI)

3-Cyano-5-fluorophenylboronic acid Specification

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