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Cas Database |
| Name |
tert-Butyl 4-(bromomethyl)benzoate |
EINECS | 691-573-1 |
| CAS No. | 108052-76-2 | Density | 1.314 g/cm3 |
| PSA | 26.30000 | LogP | 3.53680 |
| Solubility | N/A | 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 | N/A | Appearance | white crystal powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-(tert-Butyloxycarbonyl)benzylbromide;4-Bromomethylbenzoic acid tert-butyl ester;tert-Butyl p-(bromomethyl)benzoate; |
Article Data | 31 |
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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