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373384-13-5

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Basic Information
CAS No.: 373384-13-5
Name: 4-CHLOROPHENYLBORONIC ACID PROPANEDIOL ESTER
Article Data: 3
Molecular Structure:
Molecular Structure of 373384-13-5 (4-CHLOROPHENYLBORONIC ACID PROPANEDIOL ESTER)
Formula: C9H10BClO2
Molecular Weight: 196.441
Synonyms: 4-Chlorophenylboronic acid propanediol ester;4-(1,3,2-Dioxaborinan-2-yl)chlorobenzene;
Density: 1.18 g/cm3
Boiling Point: 308.8 °C at 760 mmHg
Flash Point: 140.5 °C
Hazard Symbols: Xi
PSA: 18.46000
LogP: 1.47210
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Specification

The 1,3,2-Dioxaborinane,2-(4-chlorophenyl)-, with the CAS registry number 373608-48-1, has the systematic name of 2-(4-chlorophenyl)-1,3,2-dioxaborinane. It is also called 4-Chlorophenylboronic acid propanediol ester. And the molecular formula of the chemical is C9H10BClO2.

The characteristics of 1,3,2-Dioxaborinane,2-(4-chlorophenyl)- are as followings: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 18.46 Å2; (5)Index of Refraction: 1.517; (6)Molar Refractivity: 50.38 cm3; (7)Molar Volume: 166.3 cm3; (8)Polarizability: 19.97×10-24cm3; (9)Surface Tension: 35.5 dyne/cm; (10)Density: 1.18 g/cm3; (11)Flash Point: 140.5 °C; (12)Enthalpy of Vaporization: 52.76 kJ/mol; (13)Boiling Point: 308.8 °C at 760 mmHg; (14)Vapour Pressure: 0.00121 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2ccc(B1OCCCO1)cc2
(2)InChI: InChI=1/C9H10BClO2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5H,1,6-7H2
(3)InChIKey: QLTAXEYAYHGYFK-UHFFFAOYAO