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CAS No.: | 13076-29-4 |
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Name: | 1,4-DIMETHOXYANTHRACENE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C16H14O2 |
Molecular Weight: | 238.286 |
Synonyms: | 1,4-Dimethoxyanthracene;NSC 106547; |
Density: | 1.158 g/cm3 |
Melting Point: | 134.5-136.5 °C |
Boiling Point: | 417.6 °C at 760 mmHg |
Flash Point: | 178.9 °C |
Appearance: | yellow crystalline powder |
Safety: | 24/25 |
PSA: | 18.46000 |
LogP: | 4.01020 |
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The Anthracene,1,4-dimethoxy-, with the CAS registry number 13076-29-4, is also known as 1,4-Dimethoxyanthracene. This chemical's molecular formula is C16H14O2 and molecular weight is 238.28. Complied with the regulations of use and storage, it does not decompose. What's more, it should be sealed and stored in a cool and dry place.
Physical properties of Anthracene,1,4-dimethoxy- are: (1)ACD/LogP: 4.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.56; (4)ACD/LogD (pH 7.4): 4.56; (5)ACD/BCF (pH 5.5): 1721.54; (6)ACD/BCF (pH 7.4): 1721.54; (7)ACD/KOC (pH 5.5): 7208.87; (8)ACD/KOC (pH 7.4): 7208.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 75.29 cm3; (15)Molar Volume: 205.6 cm3; (16)Polarizability: 29.84×10-24 cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.158 g/cm3; (19)Flash Point: 178.9 °C; (20)Enthalpy of Vaporization: 64.49 kJ/mol; (21)Boiling Point: 417.6 °C at 760 mmHg; (22)Vapour Pressure: 8.51E-07 mmHg at 25 °C.
Preparation: this chemical can be prepared by 1,4-dimethoxy-9,10-dihydro-anthracene-9,10-diol at 40 °C. This reaction will need reagent HCl and solvent tetrahydrofuran with the reaction time of 2 hours. The yield is about 40%.
Uses of Anthracene,1,4-dimethoxy-: it can be used to produce 9,10-Dihydro-1,4-dimethoxy-9,10-ethanoanthracen-11,12-dicarbonsaeure-anhydrid at 111 °C. It will need reagent maleic acid anhydride and solvent toluene with the reaction time of 1 hour. The yield is about 56%.
When you are using this chemical, please be cautious about it as the following:
You should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C2=CC3=CC=CC=C3C=C12)OC
(2)InChI: InChI=1S/C16H14O2/c1-17-15-7-8-16(18-2)14-10-12-6-4-3-5-11(12)9-13(14)15/h3-10H,1-2H3
(3)InChIKey: YCTBFSAWJWMRGO-UHFFFAOYSA-N