3'-Acetoxy-2-bromoacetophenone supplier

Name
2-BROMO-3'-ACETYLOXYLACETOPHENONE
EINECS 1308068-626-2
CAS No. 38396-89-3
Article Data4
CAS DataBase
Density 1.497 g/cm³
Solubility
Melting Point
Formula C₁₀H₉BrO₃
Boiling Point 337.7 °C at 760 mmHg
Molecular Weight 257.084
Flash Point 158 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,2-bromo-3'-hydroxy-, acetate (7CI);
PSA 43.37000
LogP 2.18950

3'-Acetoxy-2-bromoacetophenone Specification

This chemical is called 3'-Acetoxy-2-bromoacetophenone, and its systematic name is 3-(bromoacetyl)phenyl acetate. With the molecular formula of C₁₀H₉BrO₃, its molecular weight is 257.08. The CAS registry number of this chemical is 38396-89-3.

Other characteristics of the 3'-Acetoxy-2-bromoacetophenone can be summarised as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.2; (6)ACD/BCF (pH 7.4): 13.2; (7)ACD/KOC (pH 5.5): 220.69; (8)ACD/KOC (pH 7.4): 220.69; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 55.35 cm³; (15)Molar Volume: 171.7 cm³; (16)Polarizability: 21.94×10^-24cm³; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.496 g/cm³; (19)Flash Point: 158 °C; (20)Enthalpy of Vaporization: 58.1 kJ/mol; (21)Boiling Point: 337.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000103 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(C)Oc1cc(ccc1)C(=O)CBr
2.InChI: InChI=1/C10H9BrO3/c1-7(12)14-9-4-2-3-8(5-9)10(13)6-11/h2-5H,6H2,1H3
3.InChIKey: YLJZSPJKMBFLRA-UHFFFAOYAU

Product Name

2-BROMO-3'-ACETYLOXYLACETOPHENONE

3'-Acetoxy-2-bromoacetophenone Specification

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