Product Name

  • Name

    4-(BROMOMETHYL)-BENZOIC ACID, 1,1-DIMETHYLETHYL ESTER

  • EINECS 691-573-1
  • CAS No. 108052-76-2
  • Article Data31
  • CAS DataBase
  • Density 1.314 g/cm3
  • Solubility
  • Melting Point 53-55 °C
  • Formula C12H15BrO2
  • Boiling Point 320.936 °C at 760 mmHg
  • Molecular Weight 271.154
  • Flash Point 147.897 °C
  • Transport Information
  • Appearance white crystal powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 108052-76-2 (4-(BROMOMETHYL)-BENZOIC ACID, 1,1-DIMETHYLETHYL ESTER)
  • Hazard Symbols
  • Synonyms 4-(tert-Butyloxycarbonyl)benzylbromide;4-Bromomethylbenzoic acid tert-butyl ester;tert-Butyl p-(bromomethyl)benzoate;
  • PSA 26.30000
  • LogP 3.53680

tert-Butyl 4-(bromomethyl)benzoate Chemical Properties

Molecular Structure of tert-Butyl 4-(bromomethyl)benzoate (CAS No.108052-76-2):
 
Molecular Formula: C12H15BrO2 
Molecular Weight: 271.1503
CAS No: 108052-76-2
IUPAC Name: tert-Butyl 4-(bromomethyl)benzoate 
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.537
Molar Refractivity: 64.53 cm3
Molar Volume: 206.3 cm3
Surface Tension: 38.9 dyne/cm
Density: 1.313 g/cm3
Flash Point: 147.9 °C
Enthalpy of Vaporization: 56.27 kJ/mol
Boiling Point: 320.9 °C at 760 mmHg
Vapour Pressure: 0.000308 mmHg at 25°C
InChI: InChI=1/C12H15BrO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3
InChIKey: GSIBTIUXYYFCPU-UHFFFAOYAK
Std. InChI: InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3
Std. InChIKey: GSIBTIUXYYFCPU-UHFFFAOYSA-N

tert-Butyl 4-(bromomethyl)benzoate Specification

   tert-Butyl 4-(bromomethyl)benzoate (CAS No.108052-76-2), its synonyms are 4-(Bromomethyl)-benzoic acid, 1,1-Dimethylethyl ester ; 4-Bromo methyl benzoic acid mono tert-butyl ester ; Tert-butyl p-(bromomethyl) benzoate ; 4-Bromomethyl-benzoic acid tert-butyl ester ; 1,1-Dimethylethyl 4-(bromomethyl)benzoate ; tert-Butyl 4-(bromomethyl)benzoate  

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