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| CAS No.: | 67029-74-7 |
|---|---|
| Name: | 2-BROMO-1-(5-BROMO-2-HYDROXYPHENYL)ETHANONE |
| Article Data: | 10 |
| Molecular Structure: | |
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|
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| Formula: | C8H6Br2O2 |
| Molecular Weight: | 293.942 |
| Synonyms: | 2-Bromo-1-(5-bromo-2-hydroxyphenyl)ethan-1-one; |
| Density: | 1.975 g/cm3 |
| Melting Point: | 66-70 °C |
| Boiling Point: | 331.5 °C at 760 mmHg |
| Flash Point: | 154.3 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25-36/37/38 |
| Safety: | 26-45 |
| Transport Information: | UN 2811 |
| PSA: | 37.30000 |
| LogP: | 2.73230 |
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- Total:13 Page 1 of 1 1
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Specification
The Ethanone, 2-bromo-1-(5-bromo-2-hydroxyphenyl)-, with the CAS registry number 67029-74-7, is also known as 2-Bromo-1-(5-bromo-2-hydroxyphenyl)ethan-1-one. This chemical's molecular formula is C8H6Br2O2 and molecular weight is 293.94. What's more, its IUPAC name is 2-Bromo-1-(5-bromo-2-hydroxyphenyl)ethanone.
Physical properties about Ethanone, 2-bromo-1-(5-bromo-2-hydroxyphenyl)- are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 329.74; (6)ACD/BCF (pH 7.4): 85.66; (7)ACD/KOC (pH 5.5): 2185.41; (8)ACD/KOC (pH 7.4): 567.73; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 53.58 cm3; (15)Molar Volume: 148.7 cm3; (16)Polarizability: 21.24×10-24 cm3; (17)Surface Tension: 57.7 dyne/cm; (18)Density: 1.975 g/cm3; (19)Flash Point: 154.3 °C; (20)Enthalpy of Vaporization: 59.7 kJ/mol; (21)Boiling Point: 331.5 °C at 760 mmHg; (22)Vapour Pressure: 8.04E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is toxic if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(C(=O)CBr)c(O)cc1
(2) InChI: InChI=1/C8H6Br2O2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2
(3) InChIKey: FZIUHYVCSFQKFC-UHFFFAOYAZ