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| CAS No.: | 635-67-6 |
|---|---|
| Name: | 1,2-DIACETOXYBENZENE |
| Article Data: | 89 |
| Molecular Structure: | |
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| Formula: | C10H10O4 |
| Molecular Weight: | 194.187 |
| Synonyms: | 1,2-Benzenediol,diacetate (9CI);Pyrocatechol, diacetate (6CI,7CI,8CI);1,2-Bis(acetyloxy)benzene;1,2-Diacetoxybenzene;2-Acetoxyphenyl acetate;Benzene-1,2-diacetate;Catechol diacetate;NSC 27802;o-Acetoxyphenyl acetate;o-Diacetoxybenzene;o-Dihydroxybenzene diacetate;o-Phenylene diacetate; |
| EINECS: | 211-240-2 |
| Density: | 1.179 g/cm3 |
| Melting Point: | 64 °C |
| Boiling Point: | 284.3 °C at 760 mmHg |
| Flash Point: | 139.8 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 52.60000 |
| LogP: | 1.53720 |
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- Total:21 Page 1 of 1 1
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Specification
The CAS register number of 1,2-Benzenediol,1,2-diacetate is 635-67-6. It also can be called as 1,2-Bis(acetyloxy)benzene and the systematic name about this chemical is benzene-1,2-diyl diacetate. The molecular formula about this chemical is C10H10O4 and the molecular weight is 194.18. It belongs to the following product categorie which include Aromatic Ethers.
Physical properties about 1,2-Benzenediol,1,2-diacetate are: (1)ACD/LogP: 0.54; (2)ACD/LogD (pH 5.5): 0.54; (3)ACD/LogD (pH 7.4): 0.54; (4)ACD/BCF (pH 5.5): 1.52; (5)ACD/BCF (pH 7.4): 1.52; (6)ACD/KOC (pH 5.5): 46.93; (7)ACD/KOC (pH 7.4): 46.93; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.506; (12)Molar Refractivity: 48.93 cm3; (13)Molar Volume: 164.6 cm3; (14)Polarizability: 19.39x10-24cm3; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.179 g/cm3; (17)Flash Point: 139.8 °C; (18)Enthalpy of Vaporization: 52.33 kJ/mol; (19)Boiling Point: 284.3 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25 °C.
Preparation: this chemical can be prepared by acetic acid anhydride and benzene-1,2-diol. This reaction will need reagent of tin(IV) tetraphenylporphyrin perchlorate. The reaction time is 5 min with reaction temperature of 20 °C. The yield is about 60%.
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Uses of 1,2-Benzenediol,1,2-diacetate: it can be used to produce 1-(3,4-dihydroxy-phenyl)-ethanone. This reaction will need reagent of aluminium chloride, nitrobenzene. This reaction The reaction temperature is 75 °C.
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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. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccccc1OC(=O)C)C
(2)InChI: InChI=1/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3
(3)InChIKey: FBSAITBEAPNWJG-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3
(5)Std. InChIKey: FBSAITBEAPNWJG-UHFFFAOYSA-N