Boronicacid, B-[5-chloro-2-(phenylmethoxy)phenyl]- supplier

Name
2-BENZYLOXY-5-CHLOROPHENYLBORONIC ACID
EINECS
CAS No. 612832-83-4
Article Data7
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point 108-110° C
Formula C₁₃H₁₂BClO₃
Boiling Point 462.3 °C at 760 mmHg
Molecular Weight 262.5
Flash Point 233.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms Boronicacid, [5-chloro-2-(phenylmethoxy)phenyl]- (9CI);(2-Benzyloxy-5-chlorophenyl)boronic acid;[5-Chloro-2-[(phenylmethyl)oxy]phenyl]boronicacid;2-Benzyloxy-5-chlorophenylboronic?acid;
PSA 49.69000
LogP 1.59880

Boronicacid, B-[5-chloro-2-(phenylmethoxy)phenyl]- Specification

The Boronicacid, B-[5-chloro-2-(phenylmethoxy)phenyl]-, with CAS registry number 612832-83-4, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [2-(benzyloxy)-5-chlorophenyl]boronic acid. And the chemical formula of this chemical is C₁₃H₁₂BClO₃.

Physical properties of Boronicacid, B-[5-chloro-2-(phenylmethoxy)phenyl]-: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 489.52; (6)ACD/BCF (pH 7.4): 301.75; (7)ACD/KOC (pH 5.5): 2923.88; (8)ACD/KOC (pH 7.4): 1802.32; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 69.19 cm³; (15)Molar Volume: 200.7 cm³; (16)Polarizability: 27.43×10^-24cm³; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 233.4 °C; (20)Enthalpy of Vaporization: 76.21 kJ/mol; (21)Boiling Point: 462.3 °C at 760 mmHg; (22)Vapour Pressure: 2.42E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(OCc1ccccc1)c(B(O)O)c2
(2)InChI: InChI=1/C13H12BClO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
(3)InChIKey: SLERXVFZNNSBIX-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H12BClO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
(5)Std. InChIKey: SLERXVFZNNSBIX-UHFFFAOYSA-N

Product Name

2-BENZYLOXY-5-CHLOROPHENYLBORONIC ACID

Boronicacid, B-[5-chloro-2-(phenylmethoxy)phenyl]- Specification

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