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| CAS No.: | 33243-33-3 |
|---|---|
| Name: | 1-(2,4-dibromophenyl)ethanone |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C8H6Br2O |
| Molecular Weight: | 277.943 |
| Synonyms: | 2',4'-Dibromoacetophenone;1-(2,4-Dibromophenyl)ethanone;Acetophenone,2',4'-dibromo- (6CI,7CI,8CI); |
| Density: | 1.812 g/cm3 |
| Melting Point: | 61-62℃ |
| Boiling Point: | 316.4 °C at 760 mmHg |
| Flash Point: | 117.6 °C |
| PSA: | 17.07000 |
| LogP: | 3.41420 |
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Specification
The Ethanone,1-(2,4-dibromophenyl)-, with the CAS registry number 33243-33-3, is also known as 1-Acetyl-2,4-dibromobenzene. This chemical's molecular formula is C8H6Br2O and molecular weight is 277.94. What's more, its systematic name is called 1-(2,4-Dibromophenyl)ethanone.
Physical properties about Ethanone,1-(2,4-dibromophenyl)- are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.588; (8)Molar Refractivity: 51.66 cm3; (9)Molar Volume: 153.3 cm3; (10)Surface Tension: 43.3 dyne/cm; (11)Density: 1.812 g/cm3; (12)Flash Point: 117.6 °C; (13)Enthalpy of Vaporization: 55.77 kJ/mol; (14)Boiling Point: 316.4 °C at 760 mmHg; (15)Vapour Pressure: 0.000411 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Br)cc1Br)C
(2) InChI: InChI=1/C8H6Br2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
(3) InChIKey: PFNFQYGPUFVXPB-UHFFFAOYAP