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| CAS No.: | 3131-52-0 |
|---|---|
| Name: | 5,6-Dihydroxyindole |
| Article Data: | 53 |
| Molecular Structure: | |
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|
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| Formula: | C8H7NO2 |
| Molecular Weight: | 149.149 |
| Synonyms: | Indole-5,6-diol(6CI,7CI,8CI);Dopamine lutine;1H-Indole-5,6-diol; |
| EINECS: | 412-130-9 |
| Density: | 1.51 g/cm3 |
| Melting Point: | 140 °C (decomp) |
| Boiling Point: | 411.2 °C at 760 mmHg |
| Flash Point: | 202.5 °C |
| Hazard Symbols: |
 Xn;  N
|
| Risk Codes: | 22-41-51/53 |
| Safety: | 22-26-36/37/39-61 |
| PSA: | 56.25000 |
| LogP: | 1.57910 |
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- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 18h; Heating; | 100% |
- 3131-52-0
1H-indole-5,6-diol
| Conditions | Yield |
|---|---|
| With sodium dithionite-hydrate; sodium hydrogencarbonate In water at 20 - 58℃; for 1h; Inert atmosphere; | 98.1% |
| Conditions | Yield |
|---|---|
| With Pd(0)EnCat; ammonium formate In N,N-dimethyl-formamide at 80℃; for 0.166667h; Irradiation; microwave; | 95% |
- 15069-79-1
5,6-diacetoxyindole
- 3131-52-0
1H-indole-5,6-diol
| Conditions | Yield |
|---|---|
| With potassium carbonate In methanol for 0.583333h; | 90% |
| With methanol; sodium hydroxide; water at 0℃; Reagens 4: Natriumdithionit; | |
| With sodium hydroxide In ethanol |
- 89762-39-0, 3571-34-4
dopachrome
- 3131-52-0
1H-indole-5,6-diol
| Conditions | Yield |
|---|---|
| With sodium L-ascorbate In water at 20℃; for 0.75h; Product distribution / selectivity; | 90% |
| With sodium chloride In water at 20℃; for 0.75h; Product distribution / selectivity; |
- 14430-23-0
5,6-dimethoxyindole
- 3131-52-0
1H-indole-5,6-diol
| Conditions | Yield |
|---|---|
| With hydrogenchloride; acetic acid In water Reagent/catalyst; Solvent; Reflux; | 85.7% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; palladium-carbon In water | 76.5% |
- 96806-57-4
(E)-4,5-dihydroxy-2,β-dinitrostyrene
- 3131-52-0
1H-indole-5,6-diol
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In methanol under 2585.7 Torr; for 1h; | 76% |
| With sodium dithionite; phosphate buffer; zinc(II) sulfate In various solvent(s) at 40℃; for 0.333333h; | 52% |
| With hydrogen; palladium on activated charcoal In water under 2585.7 Torr; for 0.75h; | 50% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water | 56% |
- 15937-11-8
5,6-diacetoxy-2,3-dihydro-indole
- 3131-52-0
1H-indole-5,6-diol
| Conditions | Yield |
|---|---|
| With potassium carbonate In methanol at 0℃; for 0.833333h; Inert atmosphere; | 54% |
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Specification
The IUPAC name of this chemical is 1H-Indole-5,6-diol. With the CAS registry number 3131-52-0, it is also named as 5,6-dihydroxyindole. In addition, the molecular formula is C8H7NO2 and the molecular weight is 149.15. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 1H-Indole-5,6-diol are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.12; (6)ACD/BCF (pH 7.4): 1.12; (7)ACD/KOC (pH 5.5): 37.78; (8)ACD/KOC (pH 7.4): 37.72; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.39 Å2; (13)Index of Refraction: 1.802; (14)Molar Refractivity: 42.29 cm3; (15)Molar Volume: 98.7 cm3; (16)Polarizability: 16.76 ×10-24cm3; (17)Surface Tension: 86 dyne/cm; (18)Density: 1.51 g/cm3; (19)Flash Point: 202.5 °C; (20)Enthalpy of Vaporization: 68.95 kJ/mol; (21)Boiling Point: 411.2 °C at 760 mmHg; (22)Vapour Pressure: 2.38E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. And it has risk of serious damage to eyes. Moreover, it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. You should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, you should avoid release to the environment and you can refer to special instructions safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc2c(cc1O)ncc2
(2)Std.InChI: InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H
(3)Std.InChIKey: SGNZYJXNUURYCH-UHFFFAOYSA-N