CAS No.144432-85-9,3-Chloro-4-fluorophenylboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	144432-85-9
Name:	3-Chloro-4-fluorophenylboronic acid

Formula:	C₆H₅BClFO₂
Molecular Weight:	174.367
Synonyms:	3-Chloro-4-fluorobenzene boronic acid;4-Chloro-3-fluorophenyl-boronic acid;3-Chloro-4-fluorobenzeneboronic acid;
EINECS:	-0
Density:	1.41 g/cm³
Melting Point:	242-247 °C(lit.)
Boiling Point:	306 °C at 760 mmHg
Flash Point:	138.8 °C
Appearance:	Off-white to faintly orange powder
Hazard Symbols:	Xn,Xi
Risk Codes:	22-36/37/38
Safety:	36/37/39-26
PSA:	40.46000
LogP:	0.15890

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Specification

This product is an organic compound with the formula C₆H₅BClFO₂. The IUPAC name of this chemical is 3-Chloro-4-fluorophenylboronic acid. It belongs to the product categories of Fluorin-contained phenyl boronic acid series; Blocks; Boronic Acids; Fluoro Compounds; Boric Acid; Boronic Acid series; Substituted Boronic Acids; Benzene series; Fluorobenzene; Aryl; Organoborons; B (Classes of Boron Compounds). With the CAS registry number 144432-85-9, it is also named as 3-Chloro-4-fluorobenzeneboronic 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 and fire.

Physical properties of 3-Chloro-4-fluorophenylboronic acid are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 35.43; (6)ACD/BCF (pH 7.4): 22.69; (7)ACD/KOC (pH 5.5): 446.45; (8)ACD/KOC (pH 7.4): 285.97; (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: 1.533; (14)Molar Refractivity: 38.22 cm³; (15)Molar Volume: 123.1 cm³; (16)Polarizability: 15.15×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 138.8 °C ; (20)Enthalpy of Vaporization: 57.7 kJ/mol; (21)Boiling Point: 306 °C at 760 mmHg; (22)Vapour Pressure: 0.000347 mmHg at 25°C.

Uses of 3-Chloro-4-fluorophenylboronic acid: it can be used to produce 1-(2-bromocyclopenten-1-yl)-3-chloro-4-fluorobenzene by heating. It will need reagents 2 M Na₂CO₃, Pd(PPh₃)₄ and solvents toluene, ethanol. The yield is about 40%.

3-Chloro-4-fluorophenylboronic acid can be used to produce 1-(2-bromocyclopenten-1-yl)-3-chloro-4-fluorobenzene by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. 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 wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(B(O)O)cc1Cl
(2)Std. InChI: InChI=1S/C6H5BClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H
(3)Std. InChIKey: WJDZZXIDQYKVDG-UHFFFAOYSA-N