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5,6-Dihydroxyindole

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Name

5,6-Dihydroxyindole

EINECS 412-130-9
CAS No. 3131-52-0 Density 1.51 g/cm3
PSA 56.25000 LogP 1.57910
Solubility N/A Melting Point 140 °C (decomp)
Formula C8H7NO2 Boiling Point 411.2 °C at 760 mmHg
Molecular Weight 149.149 Flash Point 202.5 °C
Transport Information N/A Appearance N/A
Safety 22-26-36/37/39-61 Risk Codes 22-41-51/53
Molecular Structure Molecular Structure of 3131-52-0 (5,6-Dihydroxyindole) Hazard Symbols HarmfulXn; DangerousN
Synonyms

Indole-5,6-diol(6CI,7CI,8CI);Dopamine lutine;1H-Indole-5,6-diol;

Article Data 53

5,6-Dihydroxyindole Synthetic route

4790-08-3

5,6-dihydroxy-2-carboxyindole

3131-52-0

1H-indole-5,6-diol

Conditions
ConditionsYield
With hydrogenchloride for 18h; Heating;100%

C8H7NO2

3131-52-0

1H-indole-5,6-diol

Conditions
ConditionsYield
With sodium dithionite-hydrate; sodium hydrogencarbonate In water at 20 - 58℃; for 1h; Inert atmosphere;98.1%
4790-19-6

5,6-dibenzyloxyindole

3131-52-0

1H-indole-5,6-diol

Conditions
ConditionsYield
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
ConditionsYield
With potassium carbonate In methanol for 0.583333h;90%
With methanol; sodium hydroxide; water at 0℃; Reagens 4: Natriumdithionit;
With sodium hydroxide In ethanol
3131-52-0

1H-indole-5,6-diol

Conditions
ConditionsYield
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
ConditionsYield
With hydrogenchloride; acetic acid In water Reagent/catalyst; Solvent; Reflux;85.7%
17013-01-3

fumaric acid disodium salt

5,6-dihydroxyindoline hydrobromide

3131-52-0

1H-indole-5,6-diol

Conditions
ConditionsYield
With sodium hydroxide; palladium-carbon In water76.5%
96806-57-4

(E)-4,5-dihydroxy-2,β-dinitrostyrene

3131-52-0

1H-indole-5,6-diol

Conditions
ConditionsYield
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%

ammonium persulfate

5,6-dihydroxyindoline hydrobromide

3131-52-0

1H-indole-5,6-diol

Conditions
ConditionsYield
With sodium hydroxide In water56%
15937-11-8

5,6-diacetoxy-2,3-dihydro-indole

3131-52-0

1H-indole-5,6-diol

Conditions
ConditionsYield
With potassium carbonate In methanol at 0℃; for 0.833333h; Inert atmosphere;54%

5,6-Dihydroxyindole 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

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