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380481-66-3

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Basic Information
CAS No.: 380481-66-3
Name: 4-methylbenzeneboronic acid neopentyl ester
Article Data: 44
Molecular Structure:
Molecular Structure of 380481-66-3 (4-methylbenzeneboronic acid neopentyl ester)
Formula: C12H17 B O2
Molecular Weight: 204.077
Synonyms: 5,5-Dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane
Density: 0.99 g/cm3
Melting Point: 93-95ºC
Boiling Point: 303 ºC at 760 mmHg
Flash Point: 137ºC
Safety: 24/25
PSA: 18.46000
LogP: 1.76320
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Chemistry

Molecular Structure of 4-methylbenzeneboronic acid neopentyl ester (CAS NO.380481-66-3):

Systematic Name: 5,5-Dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane 
Molecular Formula: C12H17BO2
Molecular Weight: 204.07 
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Nominal Mass: 204
Average Mass: 204.0732
Monoisotopic Mass: 204.132161
Index of Refraction: 1.493
Molar Refractivity: 59.444 cm3
Molar Volume: 204.432 cm3
Surface Tension: 31.365 dyne/cm
Density: 0.998 g/cm3
Flash Point: 137.03 °C
Melting Point: 93-95 °C
Enthalpy of Vaporization: 52.151 kJ/mol
Boiling Point: 302.967 °C at 760 mmHg
Vapour Pressure: 0.002 mmHg at 25 °C
Product Categories: Intermediates
SMILES: CC1(C)COB(OC1)c2ccc(C)cc2 
InChI: InChI=1/C12H17BO2/c1-10-4-6-11(7-5-10)13-14-8-12(2,3)9-15-13/h4-7H,8-9H2,1-3H3
InChIKey: ZSPBWRPQSPRISS-UHFFFAOYAM

Safety Profile

Safety Information of 4-methylbenzeneboronic acid neopentyl ester (CAS NO.380481-66-3):
Safety Statements: 24/25 
S24/25:Avoid contact with skin and eyes.

Specification

 4-methylbenzeneboronic acid neopentyl ester (CAS NO.380481-66-3), its Synonyms are 5,5-Dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane ; 1,3,2-Dioxaborinane,5,5-dimethyl-2-(4-methylphenyl)- ; 2-(p-Tolyl)-5,5-dimethyl-1,3,2-dioxaborinane ; p-Tolylboronic acid neopentyl glycol ester .