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143418-49-9

Basic Information
CAS No.: 143418-49-9
Name: 3,4,5-Trifluorophenylboronic acid
Molecular Structure:
Molecular Structure of 143418-49-9 (3,4,5-Trifluorophenylboronic acid)
Formula: C6H4BF3O2
Molecular Weight: 175.90
Synonyms: 3,4,5-Trifluorophenyl Boronic Acid;Boronic acid, B-(3,4,5-trifluorophenyl)-;
EINECS: -0
Density: 1.44 g/cm3
Melting Point: 290-295 °C(lit.)
Boiling Point: 263.6 °C at 760 mmHg
Flash Point: 113.2 °C
Solubility:
Appearance: tan powder
Hazard Symbols: DangerousN,HarmfulXn,IrritantXi
Risk Codes: 51/53-36-22-36/37/38
Safety: 61-26-37/39-36
Transport Information:
PSA: 40.46000
LogP: -0.21630
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  • 3,4,5-Trifluorophenylboronic acid

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    143418-49-9

    3,4,5-Trifluorophenylboronic acid

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  • 3,4,5-Trifluorophenylboronic acidCAS NO.: 143418-49-9

  • Casno:

    143418-49-9

    3,4,5-Trifluorophenylboronic acidCAS NO.: 143418-49-9

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Chemistry

The molecular structure of 3,4,5-Trifluorophenylboronic acid (CAS NO.143418-49-9):

IUPAC Name: (3,4,5-Trifluorophenyl)boronic acid 
Molecular Weight: 175.90097 g/mol
Molecular Formula: C6H4BF3O2 
Density: 1.44 g/cm3 
Melting Point: 290-295 °C(lit.)
Boiling Point: 263.6 °C at 760 mmHg 
Flash Point: 113.2 °C
Index of Refraction: 1.465
Molar Refractivity: 33.62 cm3
Molar Volume: 121.5 cm3
Surface Tension: 34 dyne/cm 
Enthalpy of Vaporization: 52.97 kJ/mol
Vapour Pressure: 0.00513 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Exact Mass: 176.025644
MonoIsotopic Mass: 176.025644
Topological Polar Surface Area: 40.5
Heavy Atom Count: 12
Canonical SMILES: B(C1=CC(=C(C(=C1)F)F)F)(O)O
InChI: InChI=1S/C6H4BF3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H
InChIKey: UHDDEIOYXFXNNJ-UHFFFAOYSA-N
Product Categories: Fluorin-contained phenyl boronic acid series; blocks; BoronicAcids; Boronic Acid series; Fluoro-Aromatics; Substituted Boronic Acids; Boronic Acid; Aryl; Fluorinated; Organoborons; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids

Uses

 3,4,5-Trifluorophenylboronic acid (CAS NO.143418-49-9) is used as intermediates of liquid crystals.

Safety Profile

Hazard Codes: DangerousN, HarmfulXn, IrritantXi
Risk Statements: 51/53-36-22-36/37/38 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R36:Irritating to eyes. 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 61-26-37/39-36 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection. 
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT

Specification

 3,4,5-Trifluorophenylboronic acid (CAS NO.143418-49-9) is also named as 3,4,5-Trifluorobenzeneboronic acid ; 1-Bromo-3,4,5-trifluorobenzene ; 3,4,5-Trifluorophenyl Boronic Acid ; Boronic acid, B-(3,4,5-trifluorophenyl)- . 3,4,5-Trifluorophenylboronic acid (CAS NO.143418-49-9) is tan powder.

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