Benzoic acid,4-bromo-3-(phenylmethoxy)-, 1,1-dimethylethyl ester supplier

Name
TERT-BUTYL 3-BENZYLOXY-4-BROMOBENZOATE
EINECS
CAS No. 247186-50-1
Article Data1
CAS DataBase
Density 1.307 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₉BrO₃
Boiling Point 443.3 °C at 760 mmHg
Molecular Weight 363.24566
Flash Point 221.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms TERT-BUTYL 3-BENZYLOXY-4-BROMOBENZOATE;tert-Butyl 3-benzyloxy-4-bromobenzoate 98%
PSA 35.53000
LogP 4.98340

Benzoic acid,4-bromo-3-(phenylmethoxy)-, 1,1-dimethylethyl ester Specification

The Benzoic acid,4-bromo-3-(phenylmethoxy)-, 1,1-dimethylethyl ester is an organic compound with the formula C₁₈H₁₉BrO₃. The systematic name of this chemical is tert-butyl 3-benzyloxy-4-bromo-benzoate. With the CAS registry number 247186-50-1, the product's categories are Blocks; Bromides; Carboxes.

Physical properties about Benzoic acid,4-bromo-3-(phenylmethoxy)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.52; (4)ACD/LogD (pH 7.4): 5.52; (5)#H bond acceptors: 3; (6)#Freely Rotating Bonds: 6; (7)Polar Surface Area: 35.53 Å²; (8)Index of Refraction: 1.567; (9)Molar Refractivity: 90.74 cm³; (10)Molar Volume: 277.7 cm³; (11)Polarizability: 35.97×10^-24cm³; (12)Surface Tension: 41.6 dyne/cm; (13)Density: 1.307 g/cm³; (14)Flash Point: 221.9 °C; (15)Enthalpy of Vaporization: 70.09 kJ/mol; (16)Boiling Point: 443.3 °C at 760 mmHg; (17)Vapour Pressure: 4.7E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)c1ccc(c(c1)OCc2ccccc2)Br
(2)InChI: InChI=1/C18H19BrO3/c1-18(2,3)22-17(20)14-9-10-15(19)16(11-14)21-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
(3)InChIKey: YLDFIOUCSZWEGJ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C18H19BrO3/c1-18(2,3)22-17(20)14-9-10-15(19)16(11-14)21-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
(5)Std. InChIKey: YLDFIOUCSZWEGJ-UHFFFAOYSA-N

Product Name

TERT-BUTYL 3-BENZYLOXY-4-BROMOBENZOATE

Benzoic acid,4-bromo-3-(phenylmethoxy)-, 1,1-dimethylethyl ester Specification

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