Product Name

  • Name

    (3-Bromomethylphenyl)boronic acid neopentyl glycol ester

  • EINECS
  • CAS No. 143805-78-1
  • Article Data3
  • CAS DataBase
  • Density 1.299 g/cm3
  • Solubility
  • Melting Point 86-90
  • Formula C12H16BBrO2
  • Boiling Point 369.026 °C at 760 mmHg
  • Molecular Weight 282.973
  • Flash Point 176.981 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes  Xi:Irritant/Keep Cold;
  • Molecular Structure Molecular Structure of 143805-78-1 ((3-Bromomethylphenyl)boronic acid neopentyl glycol ester)
  • Hazard Symbols IrritantXi
  • Synonyms p-Bromomethylphenylboronicacid neopentyl ester;
  • PSA 49.69000
  • LogP 1.30410

(3-Bromomethylphenyl)boronic acid neopentyl glycol ester Specification

This chemical is called 2-[3-(Bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane, and its CAS registry number is 282.97. With the molecular formula of C12H16BBrO2, its molecular weight is 282.97.

Other characteristics of the 2-[3-(Bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane can be summarised as followings:  (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 18.46 Å2; (5)Index of Refraction: 1.528; (6)Molar Refractivity: 67.17 cm3; (7)Molar Volume: 217.8 cm3; (8)Polarizability: 26.62×10-24cm3; (9)Surface Tension: 36.8 dyne/cm; (10)Density: 1.29 g/cm3; (11)Flash Point: 177 °C; (12)Enthalpy of Vaporization: 59.16 kJ/mol; (13)Boiling Point: 369 °C at 760 mmHg; (14)Vapour Pressure: 2.59E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: BrCc2cccc(B1OCC(C)(C)CO1)c2
2.InChI: InChI=1/C12H16BBrO2/c1-12(2)8-15-13(16-9-12)11-5-3-4-10(6-11)7-14/h3-6H,7-9H2,1-2H3
3.InChIKey: YMHOSDXBNPFLLT-UHFFFAOYAR