2-Bromo-3',5'-diacetyloxyacetphenone supplier

Name
5-(2-bromoacetyl)-1,3-phenylene diacetate
EINECS 253-193-0
CAS No. 36763-39-0
Article Data5
CAS DataBase
Density 1.504 g/cm³
Solubility
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
Appearance White to off-white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 69.67000
LogP 2.11480

2-Bromo-3',5'-diacetyloxyacetphenone Specification

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

Product Name

5-(2-bromoacetyl)-1,3-phenylene diacetate

2-Bromo-3',5'-diacetyloxyacetphenone Specification

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