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CAS No.: | 65095-33-2 |
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Name: | Ethanone, 1-(4-bromo-2-methylphenyl)- |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C9H9BrO |
Molecular Weight: | 213.074 |
Synonyms: | 1-(4-Bromo-2-methylphenyl)ethanone;4'-Bromo-2'-methylacetophenone; |
Density: | 1.389 g/cm3 |
Boiling Point: | 278.218 °C at 760 mmHg |
Flash Point: | 84.737 °C |
PSA: | 17.07000 |
LogP: | 2.96010 |
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The 4'-Bromo-2'-methylacetophenone with its cas register number is 65095-33-2. It also can be called as Ethanone,1-(4-bromo-2-methylphenyl)- and the IUPAC Name about this chemical is 1-(4-bromo-2-methylphenyl)ethanone. It belongs to the API intermediates.
Physical properties about 4'-Bromo-2'-methylacetophenone are: (1)ACD/LogP: 2.05; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 93; (5)ACD/BCF (pH 7.4): 93; (6)ACD/KOC (pH 5.5): 890; (7)ACD/KOC (pH 7.4): 890; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 48.796 cm3; (13)Molar Volume: 153.424 cm3; (14)Polarizability: 19.344x10-24cm3; (15)Surface Tension: 37.869 dyne/cm; (16)Enthalpy of Vaporization: 51.683 kJ/mol; (17)Boiling Point: 278.218 °C at 760 mmHg; (18)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)Br)C(=O)C
(2)InChI: InChI=1S/C9H9BrO/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5H,1-2H3
(3)InChIKey: UJPLWOQOYGUXEF-UHFFFAOYSA-N