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Name |
1-(2-Bromo-4-hydroxyphenyl)ethanone |
EINECS | N/A |
CAS No. | 61791-99-9 | Density | 1.586 g/cm3 |
PSA | 37.30000 | LogP | 2.35730 |
Solubility | N/A | Melting Point |
85-90 °C |
Formula | C8H7BrO2 | Boiling Point | 344.1 °C at 760 mmHg |
Molecular Weight | 215.046 | Flash Point | 161.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2''-Bromo-4''-hydroxyacetophenone; |
Article Data | 3 |
The Ethanone, 1-(2-bromo-4-hydroxyphenyl)-, with the CAS registry number 61791-99-9, is also known as 2''-Bromo-4''-hydroxyacetophenone. It belongs to the product category of Aromatic Acetophenones & Derivatives (Substituted). This chemical's molecular formula is C8H7BrO2 and molecular weight is 215.05. What's more, its systematic name is called 1-(2-Bromo-4-hydroxyphenyl)ethanone.
Physical properties about Ethanone, 1-(2-bromo-4-hydroxyphenyl)- are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 39.35; (6)ACD/BCF (pH 7.4): 15.71; (7)ACD/KOC (pH 5.5): 479.63; (8)ACD/KOC (pH 7.4): 191.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 45.85 cm3; (15)Molar Volume: 135.5 cm3; (16)Surface Tension: 48.5 dyne/cm; (17)Density: 1.586 g/cm3; (18)Flash Point: 161.9 °C; (19)Enthalpy of Vaporization: 61.13 kJ/mol; (20)Boiling Point: 344.1 °C at 760 mmHg; (21)Vapour Pressure: 3.38E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)c1ccc(O)cc1Br
(2) InChI: InChI=1S/C8H7BrO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3
(3) InChIKey: UHZMXDQVZPWRQD-UHFFFAOYSA-N