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9,10-Anthracenedione,1,4-dimethyl-

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Name

9,10-Anthracenedione,1,4-dimethyl-

EINECS N/A
CAS No. 1519-36-4 Density 1.233 g/cm3
PSA 34.14000 LogP 3.07880
Solubility N/A Melting Point 133-135 °C
Formula C16H12O2 Boiling Point 421 °C at 760 mmHg
Molecular Weight 236.27 Flash Point 157.4 °C
Transport Information N/A Appearance Yellow powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1519-36-4 (1,4-DIMETHYLANTHRAQUINONE) Hazard Symbols IrritantXi
Synonyms

Anthraquinone,1,4-dimethyl- (7CI,8CI);1,4-Dimethyl-9,10-anthracenedione;1,4-Dimethyl-9,10-anthraquinone;1,4-Dimethylanthraquinone;1,4-Dimethylanthracene-9,10-dione;1,4-Dimethyl-9,10-anthrachinon;

Article Data 2

9,10-Anthracenedione,1,4-dimethyl- Specification

The 9,10-Anthracenedione,1,4-dimethyl-, with the CAS registry number 1519-36-4, is also known as 1,4-Dimethylanthraquinone. This chemical's molecular formula is C16H12O2 and molecular weight is 236.27. What's more, its systematic name is 1,4-Dimethylanthracene-9,10-dione. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry storeroom. What's more, it should be protected from incompatible materials and strong oxidants. Besides, this product is irritating to eyes, respiratory system and skin. When using it, you need avoid contact with skin and eyes.

Physical properties of 9,10-Anthracenedione,1,4-dimethyl- are: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.3; (4)ACD/LogD (pH 7.4): 4.3; (5)ACD/BCF (pH 5.5): 1099.96; (6)ACD/BCF (pH 7.4): 1099.96; (7)ACD/KOC (pH 5.5): 5231.38; (8)ACD/KOC (pH 7.4): 5231.38; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 68.31 cm3; (15)Molar Volume: 191.6 cm3; (16)Polarizability: 27.08×10-24 cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.233 g/cm3; (19)Flash Point: 157.4 °C; (20)Enthalpy of Vaporization: 67.5 kJ/mol; (21)Boiling Point: 421 °C at 760 mmHg; (22)Vapour Pressure: 2.69E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-(2,5-dimethyl-benzoyl)-benzoic acid at the temperature of 83 °C. This reaction will need reagent CF3SO3H and solvent CH2Cl2 with the reaction time of 46 hours. The yield is about 89%.

9,10-Anthracenedione,1,4-dimethyl- can be prepared by 2-(2,5-dimethyl-benzoyl)-benzoic acid at the temperature of 83 °C

Uses of 9,10-Anthracenedione,1,4-dimethyl-: it can be used to produce 9,10-dioxo-9,10-dihydro-anthracene-1,4-dicarboxylic acid at the temperature of 185-190 °C. It will need reagent HNO3, and the reaction time of 2 hours, the yield is about 80%.

9,10-Anthracenedione,1,4-dimethyl- can be used to produce 9,10-dioxo-9,10-dihydro-anthracene-1,4-dicarboxylic acid at the temperature of 185-190 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C(=C(C=C1)C)C(=O)C3=CC=CC=C3C2=O
(2)InChI: InChI=1S/C16H12O2/c1-9-7-8-10(2)14-13(9)15(17)11-5-3-4-6-12(11)16(14)18/h3-8H,1-2H3
(3)InChIKey: DVFAVJDEPNXAME-UHFFFAOYSA-N

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