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| CAS No.: | 613-06-9 |
|---|---|
| Name: | 2,3-DIMETHYLANTHRACENE |
| Molecular Structure: | |
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| Formula: | C16H14 |
| Molecular Weight: | 206.287 |
| Synonyms: | 2,3-Dimethyl-anthracene; |
| EINECS: | 210-328-8 |
| Density: | 1.084 g/cm3 |
| Melting Point: | 252 °C |
| Boiling Point: | 374 °C at 760 mmHg |
| Flash Point: | 170.9 °C |
| PSA: | 0.00000 |
| LogP: | 4.60980 |
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Specification
The Anthracene,2,3-dimethyl-, with the CAS registry number 613-06-9, is also known as 2,3-Dimethyl-anthracene. It belongs to the product category of Anthracenes. Its EINECS registry number is 210-328-8. This chemical's molecular formula is C16H14 and molecular weight is 206.2824. What's more, both its IUPAC name and systematic name are the same which is called 2,3-Dimethylanthracene.
Physical properties about this chemical are: (1)ACD/LogP: 5.60; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.6; (4)ACD/LogD (pH 7.4): 5.6; (5)ACD/BCF (pH 5.5): 10613.87; (6)ACD/BCF (pH 7.4): 10613.87; (7)ACD/KOC (pH 5.5): 26503.9; (8)ACD/KOC (pH 7.4): 26503.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 71.58 cm3; (15)Molar Volume: 190.2 cm3; (16)Surface Tension: 44.1 dyne/cm; (17)Density: 1.084 g/cm3; (18)Flash Point: 170.9 °C; (19)Enthalpy of Vaporization: 59.69 kJ/mol; (20)Boiling Point: 374 °C at 760 mmHg; (21)Vapour Pressure: 1.85E-05 mmHg at 25 °C; (22)Melting Point: 252 °C.
Uses of Anthracene,2,3-dimethyl-: it is used to produce other chemicals. For example, it is used to produce (+/-)-2,3-Dimethyl-9,10-ethanoanthracene-trans-11,12-dicarboxylic acid.
The reaction occurs with solvent Dioxane and other condition of heating for 3 days. The yield is 91%.
You can still convert the following datas into molecular structure:
(1) SMILES: c3ccc2cc1cc(c(cc1cc2c3)C)C
(2) InChI: InChI=1/C16H14/c1-11-7-15-9-13-5-3-4-6-14(13)10-16(15)8-12(11)2/h3-10H,1-2H3
(3) InChIKey: OGVRJXPGSVLDRD-UHFFFAOYAP