CAS No.313545-72-1,2-Chloro-4-fluorophenylboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	313545-72-1
Name:	2-Chloro-4-fluorophenylboronic acid
Article Data:	2

Formula:	C₆H₅BClFO₂
Molecular Weight:	174.367
Synonyms:	Boronicacid, (2-chloro-4-fluorophenyl)- (9CI);Boronicacid, B-(2-chloro-4-fluorophenyl)-;(2-Chloro-4-fluorophenyl)boronic acid;
Density:	1.416 g/cm³
Melting Point:	220-223 °C
Boiling Point:	290.904 °C at 760 mmHg
Flash Point:	129.735 °C
Appearance:	white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	40.46000
LogP:	0.15890

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Specification

2-Chloro-4-fluorophenylboronic acid is an organic compound with the formula C₆H₅BClFO₂, and its systematic name is the same with the product name. With the CAS registry number 313545-72-1, it is also named as Boronicacid, B-(2-chloro-4-fluorophenyl)-. It belongs to the product categories of Blocks; Boronic Acids; FluoroCompounds; Aryl; Fluorinated; Organoborons; Boronic acid. In addition, the molecular weight is 174.37. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of 2-Chloro-4-fluorophenylboronic acid are: (1)ACD/LogP: 1.795; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 13.60; (6)ACD/BCF (pH 7.4): 12.31; (7)ACD/KOC (pH 5.5): 225.33; (8)ACD/KOC (pH 7.4): 203.99; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 38.228 cm³; (15)Molar Volume: 123.147 cm³; (16)Polarizability: 15.155×10^-24cm³; (17)Surface Tension: 43.46 dyne/cm; (18)Density: 1.416 g/cm³; (19)Flash Point: 129.735 °C; (20)Enthalpy of Vaporization: 56.006 kJ/mol; (21)Boiling Point: 290.904 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(F)cc1Cl
(2)Std. InChI: InChI=1S/C6H5BClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,10-11H
(3)Std. InChIKey: XOFNMNLYGPKKOV-UHFFFAOYSA-N