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67492-50-6

Basic Information
CAS No.: 67492-50-6
Name: 3,5-Dichlorophenylboronic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 67492-50-6 (3,5-Dichlorophenylboronic acid)
Formula: C6H5BCl2O2
Molecular Weight: 190.821
Synonyms: Boronicacid, (3,5-dichlorophenyl)- (9CI);(3,5-Dichlorophenyl)boronic acid;(3,5-Dichlorophenyl)dihydroxyborane;3,5-Dichlorobenzeneboronic acid;
Density: 1.47 g/cm3
Melting Point: 315 °C
Boiling Point: 351.7 °C at 760 mmHg
Flash Point: 166.5 °C
Appearance: white to off-white powder
Hazard Symbols: HarmfulXn,IrritantXi,FlammableF
Risk Codes: 36/37/38-22-19-11
Safety: 26-36-37/39-33-16
PSA: 40.46000
LogP: 0.67320
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Specification

The Boronicacid, B-(3,5-dichlorophenyl)-, with the CAS registry number 67492-50-6, is also known as 3,5-Dichlorobenzeneboronic acid. It belongs to the product categories of Fluorin-contained phenyl boronic acid series; Blocks; Boronic Acids; Substituted Boronic Acids; Boronic Acid; Aryl; Organoborons; B (Classes of Boron Compounds); Boronic Acids and Derivatives. This chemical's molecular formula is C6H5BCl2O2 and molecular weight is 190.82. What's more, its systematic name is (3,5-dichlorophenyl)boronic acid. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.

Physical properties of Boronicacid, B-(3,5-dichlorophenyl)- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 71.93; (6)ACD/BCF (pH 7.4): 10.2; (7)ACD/KOC (pH 5.5): 725.9; (8)ACD/KOC (pH 7.4): 102.97; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 42.94 cm3; (15)Molar Volume: 129.4 cm3; (16)Polarizability: 17.02×10-24cm3; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 166.5 °C; (20)Enthalpy of Vaporization: 62.94 kJ/mol; (21)Boiling Point: 351.7 °C at 760 mmHg; (22)Vapour Pressure: 1.5E-05 mmHg at 25°C.

Uses of Boronicacid, B-(3,5-dichlorophenyl)-: it can be used to produce 1-bromo-3-chloro-benzene at the temperature of 20 °C. It will need reagent Pd(OAc)2 and solvent dioxane. The yield is about 65%.

Boronicacid, B-(3,5-dichlorophenyl)- can be used to produce 1-bromo-3-chloro-benzene at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. It may form explosive peroxides. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should take precautionary measures against static discharges. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(B(O)O)cc(Cl)c1
(2)Std. InChI: InChI=1S/C6H5BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
(3)Std. InChIKey: DKYRKAIKWFHQHM-UHFFFAOYSA-N