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Ethanone,1,1'-(4,6-dihydroxy-1,3-phenylene)bis-

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Ethanone,1,1'-(4,6-dihydroxy-1,3-phenylene)bis-

EINECS 218-482-8
CAS No. 2161-85-5 Density 1.3g/cm3
PSA 74.60000 LogP 1.50300
Solubility N/A Melting Point 178-180 °C(lit.)
Formula C10H10O4 Boiling Point 399.9 °C at 760 mmHg
Molecular Weight 194.187 Flash Point 209.8 °C
Transport Information N/A Appearance Off-white powder
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 2161-85-5 (4,6-DIACETYLRESORCINOL) Hazard Symbols HarmfulXn
Synonyms

Resorcinol,4,6-diacetyl- (6CI,7CI,8CI);1,3-Diacetyl-4,6-dihydroxybenzene;2',4'-Dihydroxy-5'-acetylacetophenone;4,6-Diacetyl-1,3-benzenediol;4,6-Diacetylresorcinol;5'-Acetyl-2',4'-dihydroxyacetophenone;Resdiacetophenone;Resodiacetophenone;1-(5-Acetyl-2,4-dihydroxyphenyl)ethanone;1,1'-(4,6-Dihydroxy-1,3-phenylene)bisethan-1-one;

Article Data 62

Ethanone,1,1'-(4,6-dihydroxy-1,3-phenylene)bis- Specification

The Ethanone,1,1'-(4,6-dihydroxy-1,3-phenylene)bis-, with the CAS registry number 2161-85-5, is also known as 4,6-Diacetyl-1,3-benzenediol. It belongs to the product category of Aromatic Acetophenones & Derivatives (substituted). Its EINECS number is 218-482-8. This chemical's molecular formula is C10H10O4 and molecular weight is 194.18. What's more, its IUPAC name is 1-(5-acetyl-2,4-dihydroxyphenyl)ethanone. It should be protected from oxides and light.

Physical properties of Ethanone,1,1'-(4,6-dihydroxy-1,3-phenylene)bis- are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 118.93; (6)ACD/BCF (pH 7.4): 88.98; (7)ACD/KOC (pH 5.5): 1063.08; (8)ACD/KOC (pH 7.4): 795.41; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 50.07 cm3; (15)Molar Volume: 149.3 cm3; (16)Polarizability: 19.85×10-24cm3; (17)Surface Tension: 55.5 dyne/cm ; (18)Density: 1.3 g/cm3; (19)Flash Point: 209.8 °C; (20)Enthalpy of Vaporization: 67.6 kJ/mol; (21)Boiling Point: 399.9 °C at 760 mmHg; (22)Vapour Pressure: 5.74E-07 mmHg at 25°C.

Preparation of Ethanone,1,1'-(4,6-dihydroxy-1,3-phenylene)bis-: this chemical can be prepared by acetyl chloride and benzene-1,3-diol at the temperature of 150 °C. This reaction will need catalyst anhydrous ferric chloride with the reaction time of 15 hours. The yield is about 60%.

Ethanone,1,1'-(4,6-dihydroxy-1,3-phenylene)bis- can be prepared by acetyl chloride and benzene-1,3-diol at the temperature of 150 °C

Uses of Ethanone,1,1'-(4,6-dihydroxy-1,3-phenylene)bis-: it can be used to produce 4,6-diacetyl-2-bromo-resorcinol by heating. It will need reagent N-bromosuccinimide and solvent dioxane with the reaction time of 10 hours. The yield is about 97%.

Ethanone,1,1'-(4,6-dihydroxy-1,3-phenylene)bis- can be used to produce 4,6-diacetyl-2-bromo-resorcinol by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=CC(=C(C=C1O)O)C(=O)C
(2)InChI: InChI=1S/C10H10O4/c1-5(11)7-3-8(6(2)12)10(14)4-9(7)13/h3-4,13-14H,1-2H3
(3)InChIKey: GEYCQLIOGQPPFM-UHFFFAOYSA-N

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