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| CAS No.: | 2880-58-2 |
|---|---|
| Name: | METHOXYBENZOQUINONE |
| Article Data: | 138 |
| Molecular Structure: | |
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| Formula: | C7H6O3 |
| Molecular Weight: | 138.123 |
| Synonyms: | p-Benzoquinone,2-methoxy- (8CI);p-Benzoquinone, methoxy- (6CI,7CI);2-Methoxy-1,4-benzoquinone;2-Methoxy-2,5-cyclohexadiene-1,4-dione;2-Methoxy-p-benzoquinone;2-Methoxybenzoquinone;2-Methoxyquinone;Methoxy-1,4-benzoquinone;Methoxy-p-benzoquinone;Methoxy-p-quinone;NSC 508876; |
| Density: | 1.22 g/cm3 |
| Melting Point: | 147 °C |
| Boiling Point: | 246.7 °C at 760 mmHg |
| Flash Point: | 105.9 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 43.37000 |
| LogP: | 0.22470 |
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Specification
The 2,5-Cyclohexadiene-1,4-dione,2-methoxy-, with the CAS registry number 2880-58-2, is also known as p-Xyloquinone. It belongs to the product categories of Anthraquinones, Hydroquinones and Quinones; Benzoquinones; Benzoquinones, etc. (Charge Transfer Complexes); Charge Transfer Complexes for Organic Metals; Functional Materials. This chemical's molecular formula is C7H6O3 and molecular weight is 138.12074. Its IUPAC name is called 2-methoxycyclohexa-2,5-diene-1,4-dione.
Physical properties of 2,5-Cyclohexadiene-1,4-dione,2-methoxy-: (1)ACD/LogP: 0.28; (2)ACD/LogD (pH 5.5): 0.27; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.61; (7)ACD/KOC (pH 7.4): 33.61; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.513; (11)Molar Refractivity: 33.97 cm3; (12)Molar Volume: 112.8 cm3; (13)Surface Tension: 39.4 dyne/cm; (14)Density: 1.22 g/cm3; (15)Flash Point: 105.9 °C; (16)Enthalpy of Vaporization: 48.38 kJ/mol; (17)Boiling Point: 246.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0267 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-methoxy-phenol. This reaction will need reagent NO(SO3K)2.
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Uses of 2,5-Cyclohexadiene-1,4-dione,2-methoxy-: it can be used to produce 2-methoxy-hydroquinone. This reaction will need reagent SO2 and water.
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When you are using this chemical, please be cautious about it as the following:
This chemical 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. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=O)C=CC1=O
(2)InChI: InChI=1S/C7H6O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
(3)InChIKey: ZJKWJHONFFKJHG-UHFFFAOYSA-N