4-Bromobenzyl acetate supplier

Name
Benzenemethanol, 4-bromo-, acetate
EINECS
CAS No. 21388-92-1
Article Data56
CAS DataBase
Density 1.446 g/cm³
Solubility
Melting Point
Formula C₉H₉BrO₂
Boiling Point 265.397 °C at 760 mmHg
Molecular Weight 229.073
Flash Point 114.309 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenemethanol, 4-bromo-, acetate (9CI);Benzyl alcohol, p-bromo-, acetate (6CI,8CI);4-(Acetoxymethyl)bromobenzene;
PSA 26.30000
LogP 2.51220

4-Bromobenzyl acetate Specification

The Benzenemethanol, 4-bromo-, acetate, with the CAS registry number 21388-92-1, is also known as 4-(Acetoxymethyl)bromobenzene. This chemical's molecular formula is C₉H₉BrO₂ and molecular weight is 229.07. What's more, its systematic name is 4-bromobenzyl acetate.

Physical properties of Benzenemethanol, 4-bromo-, acetate are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 66; (6)ACD/BCF (pH 7.4): 66; (7)ACD/KOC (pH 5.5): 702; (8)ACD/KOC (pH 7.4): 702; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 49.9 cm³; (15)Molar Volume: 158.424 cm³; (16)Polarizability: 19.782×10^-24cm³; (17)Surface Tension: 40.187 dyne/cm; (18)Density: 1.446 g/cm³; (19)Flash Point: 114.309 °C; (20)Enthalpy of Vaporization: 50.332 kJ/mol; (21)Boiling Point: 265.397 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)COC(=O)C
(2)Std. InChI: InChI=1S/C9H9BrO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3
(3)Std. InChIKey: IJDMYWWFBYRZJQ-UHFFFAOYSA-N

Product Name

Benzenemethanol, 4-bromo-, acetate

4-Bromobenzyl acetate Specification

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