3-Fluoro-4-formylphenylboronic acid supplier

Name
3-Fluoro-4-formylphenylboronic acid
EINECS -0
CAS No. 248270-25-9
Article Data4
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point 249-250 °C
Formula C₇H₆BFO₃
Boiling Point 349.3 °C at 760 mmHg
Molecular Weight 167.932
Flash Point 165.1 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (3-fluoro-4-formylphenyl)- (9CI);3-Fluoro-4-formylbenzeneboronic acid;
PSA 57.53000
LogP -0.68200

3-Fluoro-4-formylphenylboronic acid Specification

The 3-Fluoro-4-formylphenylboronic acid, with the cas registry number 248270-25-9, is also called 4-Borono-3-fluorobenzaldehyde. It is a kind of white to light yellow crystal powder and belongs to the following product categories: Blocks; BoronicAcids; API intermediates; Boronic Acid; Aryl; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids. The molecular formula of the chemical is C₇H₆BFO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 3.81; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 86.56; (8)ACD/KOC (pH 7.4): 6.88; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 38.36 cm³; (15)Molar Volume: 125.3 cm³; (16)Polarizability: 15.21×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.33 g/cm³; (19)Flash Point: 165.1 °C; (20)Enthalpy of Vaporization: 62.66 kJ/mol; (21)Boiling Point: 349.3 °C at 760 mmHg; (22)Vapour Pressure: 1.77E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1ccc(cc1F)B(O)O
(2)InChI: InChI=1/C7H6BFO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-4,11-12H
(3)InChIKey: NZNRMUVHUVCIBR-UHFFFAOYAK

Product Name

3-Fluoro-4-formylphenylboronic acid

3-Fluoro-4-formylphenylboronic acid Specification

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