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4-Fluoro-3-(hydroxymethyl)benzeneboronic acid

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Name

4-Fluoro-3-(hydroxymethyl)benzeneboronic acid

EINECS N/A
CAS No. 481681-02-1 Density 1.353 g/cm3
PSA 60.69000 LogP -1.00220
Solubility N/A Melting Point 124-126 °C
Formula C7H8BFO3 Boiling Point 365.782 °C at 760 mmHg
Molecular Weight 169.948 Flash Point 175.019 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 481681-02-1 (4-FLUORO-3-(HYDROXYMETHYL)BENZENEBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [4-fluoro-3-(hydroxymethyl)phenyl]- (9CI);4-Fluoro-3-hydroxymethylphenylboronicacid;

Article Data 4

4-Fluoro-3-(hydroxymethyl)benzeneboronic acid Specification

This chemical is called [4-Fluoro-3-(hydroxymethyl)phenyl]boronic acid. With the molecular formula of C7H8BFO3, its molecular weight is 169.95. The CAS registry number of this chemical is 481681-02-1. Additionally, its product categories are Blocks; Boronic Acids.

Other characteristics of the [4-Fluoro-3-(hydroxymethyl)phenyl]boronic acid can be summarised as followings: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42; (8)ACD/KOC (pH 7.4): 39; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 60.69 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 39.561 cm3; (15)Molar Volume: 125.634 cm3; (16)Polarizability: 15.683×10-24cm3; (17)Surface Tension: 50.164 dyne/cm; (18)Density: 1.353 g/cm3; (19)Flash Point: 175.019 °C; (20)Enthalpy of Vaporization: 64.582 kJ/mol; (21)Boiling Point: 365.782 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OCc1cc(ccc1F)B(O)O
2.InChI: InChI=1/C7H8BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,10-12H,4H2
3.InChIKey: PWMOQHMTXJYUGE-UHFFFAOYAW

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