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2,5-Dichlorophenylboronic acid

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Name

2,5-Dichlorophenylboronic acid

EINECS N/A
CAS No. 135145-90-3 Density 1.47 g/cm3
PSA 40.46000 LogP 0.67320
Solubility N/A Melting Point 150 °C(lit.)
Formula C6H5BCl2O2 Boiling Point 343.6 °C at 760 mmHg
Molecular Weight 190.821 Flash Point 161.6 °C
Transport Information N/A Appearance white solid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 135145-90-3 (2,5-Dichlorophenylboronic acid) Hazard Symbols IrritantXi
Synonyms

Boronicacid, (2,5-dichlorophenyl)- (9CI);2,5-Dichlorobenzeneboronic acid;

Article Data 1

2,5-Dichlorophenylboronic acid Specification

This chemical is called Boronic acid, B-(2,5-dichlorophenyl)-, and its systematic name is (2,5-dichlorophenyl)boronic acid. With the molecular formula of C6H5BCl2O2, its product categories are Boronic Acid Series; Heterocyclic Compounds; Aryl; Organoborons; B (Classes of Boron Compounds). The CAS registry number of this chemical is . Additionally, . In addition, this chemical should be sealed in the cool and dry place, away from oxides. 

Other characteristics of the Boronic acid, B-(2,5-dichlorophenyl)- can be summarised as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 66.03; (6)ACD/BCF (pH 7.4): 28.16; (7)ACD/KOC (pH 5.5): 695.11; (8)ACD/KOC (pH 7.4): 296.49; (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: 161.6 °C; (20)Enthalpy of Vaporization: 62.01 kJ/mol; (21)Boiling Point: 343.6 °C at 760 mmHg; (22)Vapour Pressure: 2.65E-05 mmHg at 25°C.

Uses of this chemical: The Boronic acid, B-(2,5-dichlorophenyl)- could react with 4-chloro-1H-pyrrolo[2,3-b]pyridine, and obtain the 4-(2,5-dichloro-phenyl)-1H-pyrrolo[2,3-b]pyridine. This reaction needs the reagent of KF, and the solvent of dioxane. The yield is 63 %. In addition, this reaction should be taken for 3 hours at the temperature of 100 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(Cl)cc1B(O)O
2.InChI: InChI=1/C6H5BCl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
3.InChIKey:NNTFPBXQPOQRBT-UHFFFAOYAY

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