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138500-85-3

Basic Information
CAS No.: 138500-85-3
Name: 1,3,2-Dioxaborolane,2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-
Article Data: 29
Cas Database
Molecular Structure:
Molecular Structure of 138500-85-3 (1,3,2-Dioxaborolane,2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-)
Formula: C13H18BBrO2
Molecular Weight: 297
Synonyms: 2-[4-(Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;
EINECS: -0
Density: 1.26 g/cm3
Melting Point: 83-85 °C
Boiling Point: 351.2 °C at 760 mmHg
Flash Point: 166.2 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39-45
Transport Information: N/A
PSA: 18.46000
LogP: 2.88070
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Chemistry


IUPAC Name: 2-[4-(Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CBr
InChI: InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3
InChIKey: CBUOGMOTDGNEAW-UHFFFAOYSA-N
H-Bond Donor: 0
H-Bond Acceptor: 2 
Product Categories: blocks; BoronicAcids; Bromides; Boronic acids 
Empirical Formula: C13H18BBrO2
Molecular Weight: 296.9958
Melting Point: 83-85 °C 
Index of Refraction: 1.524
Molar Refractivity: 71.8 cm3
Molar Volume: 234.5 cm3
Surface Tension: 35.6 dyne/cm
Density: 1.26 g/cm3
Flash Point: 166.2 °C
Enthalpy of Vaporization: 57.24 kJ/mol
Boiling Point: 351.2 °C at 760 mmHg
Vapour Pressure: 8.44E-05 mmHg at 25 °C
storage temp. of 4-(Bromomethyl)benzeneboronic acid pinacol ester (CAS NO.138500-85-3): Keep Cold

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
Hazard Note: Harmful/Irritant/Keep Cold
HazardClass: IRRITANT
PackingGroup of 4-(Bromomethyl)benzeneboronic acid pinacol ester (CAS NO.138500-85-3): III

Specification

 4-(Bromomethyl)benzeneboronic acid pinacol ester (CAS NO.138500-85-3), its Synonyms are 4-(Bromomethyl)benzeneboronic acid pinacol cyclic ester ;  4-(Bromomethyl)phenylboronic acid pinacol cyclic ester ;  4-(Bromomethyl)phenylboronicacidpinacolcyclicester ;  2-[(4-bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane ;  4-(Bromomethyl)phenylboronic acid pinacol cyclic ester .