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2633-50-3

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Basic Information
CAS No.: 2633-50-3
Name: 2-BROMO-1-(3,4-DIMETHYL-PHENYL)-ETHANONE
Article Data: 13
Molecular Structure:
Molecular Structure of 2633-50-3 (2-BROMO-1-(3,4-DIMETHYL-PHENYL)-ETHANONE)
Formula: C10H11BrO
Molecular Weight: 227.101
Synonyms: Acetophenone,2-bromo-3',4'-dimethyl- (7CI,8CI);2-Bromo-3',4'-dimethylacetophenone;3,4-Dimethylphenacyl bromide;
Density: 1.362 g/cm3
Melting Point: 65 °C
Boiling Point: 292.6 °C at 760 mmHg
Flash Point: 72.4 °C
PSA: 17.07000
LogP: 2.88100
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Specification

The Ethanone,2-bromo-1-(3,5-dihydroxyphenyl)-, with the CAS registry number 2633-50-3, is also known as 3,4-Dimethylphenacyl bromide. This chemical's molecular formula is C10H11BrO and molecular weight is 227.1. What's more, its systematic name is 2-bromo-1-(3,4-dimethylphenyl)ethanone.

Physical properties of Ethanone,2-bromo-1-(3,5-dihydroxyphenyl)- are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.557; (8)Molar Refractivity: 53.66 cm3; (9)Molar Volume: 166.6 cm3; (10)Polarizability: 21.27×10-24cm3; (11)Surface Tension: 40.2 dyne/cm; (12)Density: 1.362 g/cm3; (13)Flash Point: 72.4 °C; (14)Enthalpy of Vaporization: 53.21 kJ/mol; (15)Boiling Point: 292.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00182 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)C(=O)CBr)C
(2)InChI: InChI=1S/C10H11BrO/c1-7-3-4-9(5-8(7)2)10(12)6-11/h3-5H,6H2,1-2H3
(3)InChIKey: LTCYMNSEASALNB-UHFFFAOYSA-N