CAS No.135145-90-3,2,5-Dichlorophenylboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	135145-90-3
Name:	2,5-Dichlorophenylboronic acid
Article Data:	1

Formula:	C₆H₅BCl₂O₂
Molecular Weight:	190.821
Synonyms:	Boronicacid, (2,5-dichlorophenyl)- (9CI);2,5-Dichlorobenzeneboronic acid;
Density:	1.47 g/cm³
Melting Point:	150 °C(lit.)
Boiling Point:	343.6 °C at 760 mmHg
Flash Point:	161.6 °C
Appearance:	white solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	40.46000
LogP:	0.67320

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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