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| CAS No.: | 608-80-0 |
|---|---|
| Name: | CYCLOHEXANE |
| Molecular Structure: | |
|
|
|
| Formula: | C6H6O6 |
| Molecular Weight: | 174.11 |
| Synonyms: | HEXAHYDROBENZENE;HEXANAPHTHALENE;HEXANAPHTHENE;HEXAMETHYLENE;HEXAHYDROXYBENZENE;CYCLOHEXANE-195;CYCLOHEXANE-205;NAPHTHENE |
| EINECS: | 203-806-2 |
| Density: | 2.176 g/cm3 |
| Melting Point: | 4-7 °C(lit.) |
| Boiling Point: | 659.6 °C at 760 mmHg |
| Flash Point: | 346.2 °C |
| Hazard Symbols: |
 F, Xn, N
|
| Risk Codes: | 11-38-50/53-65-67 |
| Safety: | 9-16-25-33-60-61-62 |
| PSA: | 121.38000 |
| LogP: | -0.07980 |
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| Conditions | Yield |
|---|---|
| With nitric acid |
- 54890-03-8
dodecahydroxycyclohexane
- 608-80-0
benzenehexol
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin(ll) chloride |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin(ll) chloride | |
| With hydrogenchloride; tin(ll) chloride for 1h; Heating; | |
| With hydrogenchloride; tin(ll) chloride In water for 1h; Heating; | |
| With titanium trifluoromethansulfonate; trifluorormethanesulfonic acid; hydrogen fluoride In water at 22℃; Kinetics; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; 1-Benzyl-1,4-dihydronicotinamide 1) MeCN-H2O, room temp.; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; 1-Benzyl-1,4-dihydronicotinamide 1) MeCN-H2O, room temp.; Multistep reaction; |
- Total:25 Page 1 of 1 1
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Specification
The 1,2,3,4,5,6-Benzenehexol is an organic compound with the formula C6H6O6. The IUPAC name of this chemical is benzene-1,2,3,4,5,6-hexol. With the CAS registry number 608-80-0, it is also named as Benzene, hexahydroxy-. Besides, it should be stored in a closed cool and dry place.
Physical properties about 1,2,3,4,5,6-Benzenehexol are: (1)ACD/LogP: -1.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -1.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.19; (8)ACD/KOC (pH 7.4): 3.14; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.38 Å2; (13)Index of Refraction: 1.911; (14)Molar Refractivity: 37.54 cm3; (15)Molar Volume: 80 cm3; (16)Polarizability: 14.88×10-24cm3; (17)Surface Tension: 190.7 dyne/cm; (18)Density: 2.176 g/cm3; (19)Flash Point: 346.2 °C; (20)Enthalpy of Vaporization: 100.59 kJ/mol; (21)Boiling Point: 659.6 °C at 760 mmHg; (22)Vapour Pressure: 5.26E-18 mmHg at 25°C.
Uses of 1,2,3,4,5,6-Benzenehexol: it can be used to produce hydroxy-phenyl-acetic acid methyl ester andtetrahydroxy-[1,4]benzoquinone at ambient temperature. It will need reagent methyl benzoylformate and solvents acetonitrile, H2O. The yield is about 37%.
![1,2,3,4,5,6-Benzenehexol can be used to produce hydroxy-phenyl-acetic acid methyl ester andtetrahydroxy-[1,4]benzoquinone](/UserFilesUpload/Uses of 1,2,3,4,5,6-Benzenehexol.gif)
When you are using this chemical, please be cautious about it as the following:
It is highly flammable and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Please keep away from sources of ignition - No smoking and take precautionary measures against static discharges. Besides, this chemical is irritating to skin and may cause lung damage if swallowed. It is vapours may cause drowsiness and dizziness. When you are using it, avoid contact with eyes and avoid release to the environment. Refer to special instructions/safety data sheet. This material and its container must be disposed of as hazardous waste. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(O)c(O)c(O)c(O)c1O
(2)InChI: InChI=1/C6H6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H
(3)InChIKey: VWPUAXALDFFXJW-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H
(5)Std. InChIKey: VWPUAXALDFFXJW-UHFFFAOYSA-N