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797755-07-8

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Basic Information
CAS No.: 797755-07-8
Name: Phenylacetic acid-4-boronic acid pinacol ester
Molecular Structure:
Molecular Structure of 797755-07-8 (Phenylacetic acid-4-boronic acid pinacol ester)
Formula: C14H19BO4
Molecular Weight: 262.113
Synonyms: [4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]acetic acid;2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aceticacid;
Density: 1.13 g/cm3
Melting Point: 165-170°C
Boiling Point: 398.2 °C at 760 mmHg
Flash Point: 194.6 °C
Hazard Symbols:
Risk Codes: 36/37/38
Safety:
Hazard Codes Xi
PSA: 55.76000
LogP: 1.61290
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    797755-07-8

    4-(Carboxymethyl)phenylboronic acid, pinacol ester

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    FOB Price:  USD $ 0.0-0.0

    high purity Application:Drug intermediates Materials intermediates and active molecules

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Chemistry

Following is the structure of Benzeneacetic acid,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- (CAS NO.797755-07-8):
                               

Empirical Formula: C14H19BO4
Molecular Weight: 262.1093 
Index of Refraction: 1.518
Molar Refractivity: 70.36 cm3
Molar Volume: 231.9 cm3
Density: 1.13 g/cm3
Flash Point: 194.6 °C
Surface Tension: 39.7 dyne/cm
Enthalpy of Vaporization: 68.41 kJ/mol
Boiling Point: 398.2 °C at 760 mmHg
Vapour Pressure: 4.7E-07 mmHg at 25 °C
Product Categories: Aryl; Boronic ester; Organoborons
SMILES: O=C(O)Cc2ccc(B1OC(C)(C)C(O1)(C)C)cc2
InChI: InChI=1/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-7-5-10(6-8-11)9-12(16)17/h5-8H,9H2,1-4H3,(H,16,17)
InChIKey: FNLWHBHWDXCWHV-UHFFFAOYAZ

Safety Profile

Hazard Codes: IrritantXi
HazardClass: IRRITANT

Specification

 Benzeneacetic acid,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- , its cas register number 797755-07-8. It also can be called 2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aceticacid ; and [4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]acetic acid .