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33609-25-5

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Basic Information
CAS No.: 33609-25-5
Name: 3-BROMO-1,1-DIPHENYLACETONE
Molecular Structure:
Molecular Structure of 33609-25-5 (3-BROMO-1,1-DIPHENYLACETONE)
Formula: C15H13BrO
Molecular Weight: 289.172
Synonyms: 1-Bromo-3,3-diphenyl-2-propanone;3-Bromo-1,1-diphenyl-2-propanone;3-Bromo-1,1-diphenylpropan-2-one;
Density: 1.358 g/cm3
Melting Point: 64 °C
Boiling Point: 364.9 °C at 760 mmHg
Flash Point: 49 °C
Hazard Symbols: R34:Causes burns.;
Risk Codes:  C:Corrosive;
">  C:Corrosive;
PSA: 17.07000
LogP: 3.78250
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Specification

The 2-Propanone,3-bromo-1,1-diphenyl-, with the CAS registry number 33609-25-5, is also known as 3-Bromo-1,1-diphenylacetone. This chemical's molecular formula is C15H13BrO and molecular weight is 289.17. What's more, its systematic name is 3-Bromo-1,1-diphenylpropan-2-one.

Physical properties of 2-Propanone,3-bromo-1,1-diphenyl- are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 560.55; (6)ACD/BCF (pH 7.4): 560.55; (7)ACD/KOC (pH 5.5): 3228.93; (8)ACD/KOC (pH 7.4): 3228.93; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 72.59 cm3; (15)Molar Volume: 212.8 cm3; (16)Polarizability: 28.77×10-24 cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.358 g/cm3; (19)Flash Point: 49 °C; (20)Enthalpy of Vaporization: 61.11 kJ/mol; (21)Boiling Point: 364.9 °C at 760 mmHg; (22)Vapour Pressure: 1.63E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(c1ccccc1)c2ccccc2)CBr
(2)InChI: InChI=1S/C15H13BrO/c16-11-14(17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2
(3)InChIKey: MXUDDMSHZFPMLF-UHFFFAOYSA-N