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819849-20-2

Basic Information
CAS No.: 819849-20-2
Name: 2-Fluoro-5-nitrophenylboronic acid
Molecular Structure:
Molecular Structure of 819849-20-2 (2-Fluoro-5-nitrophenylboronic acid)
Formula: C6H5BFNO4
Molecular Weight: 184.92
Synonyms: Boronicacid, (2-fluoro-5-nitrophenyl)- (9CI);(2-Fluoro-5-nitrophenyl)boronic acid;Boronic acid, B-(2-fluoro-5-nitrophenyl)-;
Density: 1.49 g/cm3
Boiling Point: 366.8 °C at 760 mmHg
Flash Point: 175.7 °C
Solubility: Slightly soluble in water.
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 86.28000
LogP: -0.06310
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Specification

The Boronic acid,B-(2-fluoro-5-nitrophenyl)-, with the CAS registry number 819849-20-2, has the systematic name and IUPAC name of (2-fluoro-5-nitrophenyl)boronic acid. It belongs to the product categories of Substituted Boronic Acids and Boronic Acid. And the molecular formula of the chemical is C6H5BFNO4.

The characteristics of Boronic acid,B-(2-fluoro-5-nitrophenyl)- are as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 4.31; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 97.46; (8)ACD/KOC (pH 7.4): 17.97; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.28 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 39.43 cm3; (15)Molar Volume: 123.9 cm3; (16)Polarizability: 15.63×10-24cm3; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.49 g/cm3; (19)Flash Point: 175.7 °C; (20)Enthalpy of Vaporization: 64.71 kJ/mol; (21)Boiling Point: 366.8 °C at 760 mmHg; (22)Vapour Pressure: 5.01E-06 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: Fc1ccc(cc1B(O)O)[N+]([O-])=O
(2)InChI: InChI=1/C6H5BFNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3,10-11H
(3)InChIKey: SYAFEPQKPQIRAL-UHFFFAOYAM