CAS No.112204-57-6,5-BROMO-2-FLUOROBENZENEBORONIC ACID 98 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	112204-57-6
Name:	5-BROMO-2-FLUOROBENZENEBORONIC ACID 98
Article Data:	5

Formula:	C₆H₅BBrFO₂
Molecular Weight:	218.818
Synonyms:	Boronicacid, (5-bromo-2-fluorophenyl)- (9CI);5-Bromo-2-fluorobenzeneboronic acid;5-Bromo-2-fluorophenylboronic acid;
Density:	1.75 g/cm³
Melting Point:	144-149 °C
Boiling Point:	324.831 °C at 760 mmHg
Flash Point:	150.252 °C
Appearance:	off-white solid
Hazard Symbols:	Xi
Risk Codes:	Xi:Irritant/Keep Cold; Xi:Irritant/Keep Cold;
PSA:	40.46000
LogP:	0.26800

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Specification

The 5-Bromo-2-fluorophenylboronic acid, with the CAS registry number 112204-57-6, is also known as Boronic acid, b-(5-bromo-2-fluorophenyl)-. It belongs to the product categories of Blocks; BoronicAcids; Aryl; Boronic Acids; Boronic Acids and Derivatives. This chemical's molecular formula is C₆H₅BBrFO₂ and molecular weight is 218.82. What's more, its systematic name is called (5-Bromo-2-fluorophenyl)boronic acid.

Physical properties about 5-Bromo-2-fluorophenylboronic acid are: (1) ACD/LogP: 2.10; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 2; (5) ACD/BCF (pH 5.5): 35; (6) ACD/BCF (pH 7.4): 17; (7) ACD/KOC (pH 5.5): 444; (8) ACD/KOC (pH 7.4): 212; (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: 1.572; (14) Molar Refractivity: 41.122 cm³; (15) Molar Volume: 125.039 cm³; (16) Surface Tension: 48.584 dyne/cm; (17) Density: 1.75 g/cm³; (18) Flash Point: 150.252 °C; (19) Enthalpy of Vaporization: 59.844 kJ/mol; (20) Boiling Point: 324.831 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C; (22) Melting Point: 144-149 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(F)c(B(O)O)c1
(2) InChI: InChI=1/C6H5BBrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
(3) InChIKey: IGBDPRKNAFOOGY-UHFFFAOYAD