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CAS No.: | 10288-72-9 |
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Name: | 6-HYDROXY-1,4-BENZODIOXANE |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C8H8O3 |
Molecular Weight: | 152.15 |
Synonyms: | 1,4-Benzodioxan-6-ol(6CI,7CI,8CI);2,3-Dihydro-6-hydroxy-1,4-benzodioxin;2,3-Dihydrobenzo[1,4]dioxin-6-ol;2,3-Dihydrobenzo[b][1,4]dioxin-6-ol;6-Hydroxy-1,4-benzodioxan;6-Hydroxy-1,4-benzodioxane; |
Density: | 1.303 g/cm3 |
Boiling Point: | 291.405 °C at 760 mmHg |
Flash Point: | 130.037 °C |
Appearance: | Yellow oil |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 38.69000 |
LogP: | 1.16340 |
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The IUPAC name of 1,4-Benzodioxin-6-ol,2,3-dihydro- is 2,3-dihydro-1,4-benzodioxin-6-ol. With the CAS registry number 10288-72-9, it is also named as 6-Hydroxy-1,4-benzodioxane. The product's category is Pharmaceutical Intermediates. In addition, its molecular formula is C8H8O3 and its molecular weight is 152.15.
The other characteristics of 1,4-Benzodioxin-6-ol,2,3-dihydro- can be summarized as: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 104; (8)ACD/KOC (pH 7.4): 104; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.69 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 38.908 cm3; (15)Molar Volume: 116.779 cm3; (16)Polarizability: 15.424×10-24cm3; (17)Surface Tension: 54.77 dyne/cm; (18)Density: 1.303 g/cm3; (19)Flash Point: 130.037 °C; (20)Enthalpy of Vaporization: 55.211 kJ/mol; (21)Boiling Point: 291.405 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES: O1c2c(OCC1)cc(O)cc2
(2)InChI: InChI=1/C8H8O3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,9H,3-4H2
(3)InChIKey: DBPZCGJRCAALLW-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H8O3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,9H,3-4H2
(5)Std. InChIKey: DBPZCGJRCAALLW-UHFFFAOYSA-N