Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromobenzyl acetate |
EINECS | N/A |
CAS No. | 21388-92-1 | Density | 1.446 g/cm3 |
PSA | 26.30000 | LogP | 2.51220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9BrO2 | Boiling Point | 265.397 °C at 760 mmHg |
Molecular Weight | 229.073 | Flash Point | 114.309 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzenemethanol, 4-bromo-, acetate (9CI);Benzyl alcohol, p-bromo-, acetate (6CI,8CI);4-(Acetoxymethyl)bromobenzene; |
Article Data | 56 |
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