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| CAS No.: | 16740-73-1 |
|---|---|
| Name: | 5-Bromo-2-methoxyacetophenone |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C9H9BrO2 |
| Molecular Weight: | 229.073 |
| Synonyms: | Acetophenone,5'-bromo-2'-methoxy- (6CI,8CI);1-(3-Bromo-6-methoxyphenyl)ethanone;1-(5-Bromo-2-methoxyphenyl)ethanone;5'-Bromo-2'-methoxyacetophenone; |
| EINECS: | 604-604-1 |
| Density: | 1.421 g/cm3 |
| Melting Point: | 39 °C |
| Boiling Point: | 296.6 °C at 760 mmHg |
| Flash Point: | 133.2 °C |
| PSA: | 26.30000 |
| LogP: | 2.66030 |
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- Total:17 Page 1 of 1 1
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Specification
The Ethanone,1-(5-bromo-2-methoxyphenyl)-, with the CAS registry number 16740-73-1, is also known as 1-(3-Bromo-6-methoxyphenyl)ethanone. This chemical's molecular formula is C9H9BrO2 and molecular weight is 229.072. What's more, its IUPAC name and systematic name are the same which is called 1-(5-Bromo-2-methoxyphenyl)ethanone.
Physical properties about Ethanone,1-(5-bromo-2-methoxyphenyl)-: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 122.9; (6)ACD/BCF (pH 7.4): 122.9; (7)ACD/KOC (pH 5.5): 1089.68; (8)ACD/KOC (pH 7.4): 1089.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 50.64 cm3; (15)Molar Volume: 161.1 cm3; (16)Surface Tension: 37.8 dyne/cm; (17)Density: 1.421 g/cm3; (18)Flash Point: 133.2 °C; (19)Enthalpy of Vaporization: 53.64 kJ/mol; (20)Boiling Point: 296.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00142 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(c(OC)cc1)C(=O)C
(2) InChI: InChI=1/C9H9BrO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3
(3) InChIKey: GLKBPFOSTPLEKE-UHFFFAOYAW