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| CAS No.: | 51012-64-7 |
|---|---|
| Name: | 2-Bromo-3-methylacetophenone |
| Article Data: | 51 |
| Molecular Structure: | |
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| Formula: | C9H9BrO |
| Molecular Weight: | 213.074 |
| Synonyms: | 2-Bromo-1-(3-methylphenyl)ethanone; |
| Density: | 1.416 g/cm3 |
| Boiling Point: | 263.927 °C at 760 mmHg |
| Flash Point: | 74.59 °C |
| PSA: | 17.07000 |
| LogP: | 2.57260 |
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- Total:32 Page 1 of 1 1
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Specification
The 2-Bromo-3-methylacetophenone, with the CAS registry number 51012-64-7, is also known as 2-Bromo-1-m-tolylethanone. It belongs to the product categories of Adehydes, Acetals & Ketones; Bromine Compounds. This chemical's molecular formula is C9H9BrO and molecular weight is 213.0712. What's more, its systematic name is 2-Bromo-1-(3-methylphenyl)ethanone.
Physical properties about 2-Bromo-3-methylacetophenone are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 61; (6)ACD/BCF (pH 7.4): 61; (7)ACD/KOC (pH 5.5): 659; (8)ACD/KOC (pH 7.4): 659; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 48.838 cm3; (15)Molar Volume: 150.421 cm3; (16)Polarizability: 19.361×10-24 cm3; (17)Surface Tension: 41.697 dyne/cm; (18)Density: 1.416 g/cm3; (19)Flash Point: 74.59 °C; (20)Enthalpy of Vaporization: 50.178 kJ/mol; (21)Boiling Point: 263.927 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(ccc1)C)CBr
(2) InChI: InChI=1/C9H9BrO/c1-7-3-2-4-8(5-7)9(11)6-10/h2-5H,6H2,1H3
(3) InChIKey: BANFRNTVKCHZDE-UHFFFAOYAH