2-Propanone,1-[4-(acetyloxy)phenyl]-3-bromo- supplier

Name
1-[4-(ACETYLOXY)PHENYL]-3-BROMO-2-PROPANONE
EINECS
CAS No. 56071-69-3
Article Data2
CAS DataBase
Density 1.452 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁BrO₃
Boiling Point 352.6 °C at 760 mmHg
Molecular Weight 271.111
Flash Point 167.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[4-(Acetyloxy)phenyl]-3-bromo-2-propanone;4-(3-Bromo-2-oxopropyl)phenyl acetate;
PSA 43.37000
LogP 2.11840

2-Propanone,1-[4-(acetyloxy)phenyl]-3-bromo- Specification

The 2-Propanone,1-[4-(acetyloxy)phenyl]-3-bromo-, with the CAS registry number 56071-69-3, is also known as 1-[4-(Acetyloxy)phenyl]-3-bromo-2-propanone. This chemical's molecular formula is C₁₁H₁₁BrO₃ and molecular weight is 271.11. What's more, its systematic name is 4-(3-Bromo-2-oxopropyl)phenyl acetate.

Physical properties of 2-Propanone,1-[4-(acetyloxy)phenyl]-3-bromo- are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.51; (6)ACD/BCF (pH 7.4): 9.51; (7)ACD/KOC (pH 5.5): 174.56; (8)ACD/KOC (pH 7.4): 174.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 59.53 cm³; (15)Molar Volume: 186.6 cm³; (16)Polarizability: 23.6×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.452 g/cm³; (19)Flash Point: 167.1 °C; (20)Enthalpy of Vaporization: 59.75 kJ/mol; (21)Boiling Point: 352.6 °C at 760 mmHg; (22)Vapour Pressure: 3.79E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)CC(=O)CBr)C
(2)InChI: InChI=1S/C11H11BrO3/c1-8(13)15-11-4-2-9(3-5-11)6-10(14)7-12/h2-5H,6-7H2,1H3
(3)InChIKey: REDNLPZPQKYNRQ-UHFFFAOYSA-N

Product Name

1-[4-(ACETYLOXY)PHENYL]-3-BROMO-2-PROPANONE

2-Propanone,1-[4-(acetyloxy)phenyl]-3-bromo- Specification

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