Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Bromo-3',5'-diacetyloxyacetphenone |
EINECS | 253-193-0 |
CAS No. | 36763-39-0 | Density | 1.504 g/cm3 |
PSA | 69.67000 | LogP | 2.11480 |
Solubility | N/A | Melting Point |
62-64 °C |
Formula | C12H11BrO5 | Boiling Point | 419.4 °C at 760 mmHg |
Molecular Weight | 315.12 | Flash Point | 207.4 °C |
Transport Information | N/A | Appearance | White to off-white solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Bromo-3',5'-diacetoxyacetophenone;3',5'-Diacetoxy-2-bromoacetophenone;5-(Bromoacetyl)-1,3-phenylene diacetate;1-[3,5-Bis(acetyloxy)phenyl]-2-bromoethanone; |
Article Data | 5 |
This chemical is called 5-(2-Bromoacetyl)-1,3-phenylene diacetate, and it's also named as 2-Bromo-3',5'-diacetyloxyacetphenone. With the molecular formula of C12H11BrO5, its molecular weight is 315.12. The CAS registry number of this chemical is 36763-39-0.
Other characteristics of the 5-(2-Bromoacetyl)-1,3-phenylene diacetate can be summarised as followings: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.4; (6)ACD/BCF (pH 7.4): 6.4; (7)ACD/KOC (pH 5.5): 131.38; (8)ACD/KOC (pH 7.4): 131.38; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 69.67 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 66.69 cm3; (15)Molar Volume: 209.4 cm3; (16)Polarizability: 26.43×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.504 g/cm3; (19)Flash Point: 207.4 °C; (20)Enthalpy of Vaporization: 67.31 kJ/mol; (21)Boiling Point: 419.4 °C at 760 mmHg; (22)Vapour Pressure: 3.05E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(C)Oc1cc(cc(c1)OC(C)=O)C(=O)CBr
2.InChI: InChI=1/C12H11BrO5/c1-7(14)17-10-3-9(12(16)6-13)4-11(5-10)18-8(2)15/h3-5H,6H2,1-2H3
3.InChIKey: GXTZIQJXSCEEMV-UHFFFAOYAR