2-Fluoro-5-methoxyphenylboronic acid supplier

Name
2-FLUORO-5-METHOXYPHENYLBORONIC ACID
EINECS
CAS No. 406482-19-7
Article Data2
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 194-196 °C(lit.)
Formula C₇H₈BFO₃
Boiling Point 333.1 °C at 760 mmHg
Molecular Weight 169.948
Flash Point 155.2 °C
Transport Information
Appearance
Safety 28B-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (2-fluoro-5-methoxyphenyl)- (9CI);2-Fluoro-5-methoxyphenylboronic acid;(2-fluoro-5-methoxyphenyl)boronic acid;
PSA 49.69000
LogP -0.48590

2-Fluoro-5-methoxyphenylboronic acid Specification

The 2-Fluoro-5-methoxyphenylboronic acid, with the CAS registry number 406482-19-7, is also called boronic acid, B-(2-fluoro-5-methoxyphenyl)-. It belongs to the following product categories: Boronicacid; Heterocyclic Compounds; Aryl; Fluorinated; Organoborons; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids. And the molecular formula of the chemical is C₇H₈BFO₃.

The characteristics of 2-Fluoro-5-methoxyphenylboronic acid are as followings: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 10.18; (6)ACD/BCF (pH 7.4): 7.75; (7)ACD/KOC (pH 5.5): 183.03; (8)ACD/KOC (pH 7.4): 139.3; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 39.76 cm³; (15)Molar Volume: 134.3 cm³; (16)Polarizability: 15.76×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 155.2 °C; (20)Enthalpy of Vaporization: 60.79 kJ/mol; (21)Boiling Point: 333.1 °C at 760 mmHg; (22)Vapour Pressure: 5.55E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(OC)cc1B(O)O
(2)InChI: InChI=1/C7H8BFO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
(3)InChIKey: IPTZOWYBCLEBOE-UHFFFAOYAN

Product Name

2-FLUORO-5-METHOXYPHENYLBORONIC ACID

2-Fluoro-5-methoxyphenylboronic acid Specification

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