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269409-73-6

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Basic Information
CAS No.: 269409-73-6
Name: 3-Carboxyphenylboronic acid pinacol ester
Article Data: 13
Molecular Structure:
Molecular Structure of 269409-73-6 (3-Carboxyphenylboronic acid pinacol ester)
Formula: C13H17BO4
Molecular Weight: 248.087
Synonyms: 3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;(3-Carboxyphenyl)boronic acid, pinacol ester;3-Carboxyphenylboronic acid pinacol ester;
Density: 1.15 g/cm3
Melting Point: 206-211 °C
Boiling Point: 395.121 °C at 760 mmHg
Flash Point: 192.763 °C
Solubility: insoluble in water
Appearance: almost white to light beige crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 55.76000
LogP: 1.68400
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  • 3-Carboxyphenylboronic acid pinacol ester

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    3-Carboxyphenylboronic acid pinacol ester

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  • 3-Carboxyphenylboronic acid pinacol ester

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    3-Carboxyphenylboronic acid pinacol ester

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  • 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

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    269409-73-6

    3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

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Chemistry

Molecular Structure of 3-Carboxyphenylboronic acid pinacol ester (CAS NO.269409-73-6):

IUPAC Name: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid 
Molecular Formula: C13H17BO4
Molecular Weight: 248.08
H-Bond Donor: 1
H-Bond Acceptor: 4
Melting Point: 206-211 °C 
Index of Refraction: 1.521
Molar Refractivity: 65.73 cm3
Molar Volume: 215.6 cm3
Surface Tension: 39.9 dyne/cm
Density: 1.15 g/cm3
Flash Point: 192.8 °C
Enthalpy of Vaporization: 68.05 kJ/mol
Boiling Point: 395.1 °C at 760 mmHg
Vapour Pressure: 5.95E-07 mmHg at 25 °C
storage temp.: Refrigerator (+4 °C)
Water Solubility: Insoluble
Appearance: almost white to light beige crystalline powder
Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)O
InChI: InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H,15,16)
InChIKey: OPWAPCOSDAFWFB-UHFFFAOYSA-N
Product Categories: Acids and Derivatives; Boron, Nitrile, Thio,& TM-Cpds; Boronic acids; CHIRAL CHEMICALS

Safety Profile

Safety Information of 3-Carboxyphenylboronic acid pinacol ester (CAS NO.269409-73-6):
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Specification

 3-Carboxyphenylboronic acid pinacol ester (CAS NO.269409-73-6), its Synonyms are 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid ; Benzoic acid,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- .