Name: 2-Fluoro-5-formylphenylboronic acid
SKU: 352534-79-3

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Basic Information

Molecular Structure:
CAS No.:	352534-79-3
Name:	2-Fluoro-5-formylphenylboronic acid

Formula:	C₇H₆BFO₃
Molecular Weight:	167.932
Synonyms:	Boronicacid, (2-fluoro-5-formylphenyl)- (9CI);2-Fluoro-5-formylphenylboronic acid;
Density:	1.33 g/cm³
Melting Point:	168-171 °C
Boiling Point:	360.2 °C at 760 mmHg
Flash Point:	171.7 °C
Appearance:	off-white cryst
Hazard Symbols:	Xi,Xn
Risk Codes:	36/37/38-40-20/21/22
Safety:	26-36/37/39-22
PSA:	57.53000
LogP:	-0.68200

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Specification

The 2-Fluoro-5-formylphenylboronic acid, with the CAS registry number 352534-79-3, is also known as . It belongs to the product categories of Boronic Acid; Aldehyde; Aryl; Organoborons. This chemical's molecular formula is C₇H₆BFO₃ and molecular weight is 167.93. Its IUPAC name is called (2-fluoro-5-formylphenyl)boronic acid. It is off-white cryst which should be kept in a cool, well-ventilated place.

Physical properties of 2-Fluoro-5-formylphenylboronic acid: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 2.73; (6)ACD/BCF (pH 7.4): 1.73; (7)ACD/KOC (pH 5.5): 71.29; (8)ACD/KOC (pH 7.4): 45.17; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.524; (13)Molar Refractivity: 38.36 cm³; (14)Molar Volume: 125.3 cm³; (15)Surface Tension: 45.9 dyne/cm; (16)Density: 1.33 g/cm³; (17)Flash Point: 171.7 °C; (18)Enthalpy of Vaporization: 63.93 kJ/mol; (19)Boiling Point: 360.2 °C at 760 mmHg; (20)Vapour Pressure: 8.11E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. You should not breathe its dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=C(C=CC(=C1)C=O)F)(O)O
(2)InChI: InChI=1S/C7H6BFO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4,11-12H
(3)InChIKey: SQSWYWCEKCVQEA-UHFFFAOYSA-N