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3-Hydroxyindole

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Name

3-Hydroxyindole

EINECS N/A
CAS No. 480-93-3 Density 1.327 g/cm3
PSA 36.02000 LogP 1.87350
Solubility N/A Melting Point 85-87 °C
Formula C8H7NO Boiling Point 343.192 °C at 760 mmHg
Molecular Weight 133.15 Flash Point 161.357 °C
Transport Information N/A Appearance yellow -green powder.
Safety Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 480-93-3 (1H-Indol-3-ol) Hazard Symbols IrritantXi
Synonyms

Indol-3-ol(7CI,8CI);Indoxyl (6CI);

Article Data 71

3-Hydroxyindole Synthetic route

4127-53-1

3-methylbenzo[c]isoxazole

480-93-3

indoxyl

Conditions
ConditionsYield
at 575℃;95%
106718-55-2

ethyl o-azidobenzoyl(phenyl)acetate

A

480-93-3

indoxyl

B

106718-53-0

3-<α-(ethoxycarbonyl)benzyl>-2,1-benzisoxazole

Conditions
ConditionsYield
at 350℃; for 1h; spray vacuum pyrolysis;A 30%
B 6%
120-72-9

indole

A

480-93-3

indoxyl

B

482-89-3

1H,1H'-2,2'-Biindolylidene-3,3'-dione

6245-93-8

3-hydroxy-1H-indole-2-carboxylic acid

480-93-3

indoxyl

Conditions
ConditionsYield
With water auf den Schmelzpunkt;
With water at 70 - 80℃;
beim Erhitzen ueber den Schmelzpunkt;
With water auf den Schmelzpunkt;
With water at 70 - 80℃;
15414-78-5

1-phenylhydantoin

480-93-3

indoxyl

Conditions
ConditionsYield
With potassium hydroxide; sodium amide
With alkali metal
With alkaline earth metal
With barium(II) oxide at 250℃;
92-50-2

2-( N-ethylanilino)ethanol

480-93-3

indoxyl

Conditions
ConditionsYield
Alkalischmelze;
530-85-8

3-(2-nitrophenyl)-2-propynoic acid

480-93-3

indoxyl

Conditions
ConditionsYield
Ausscheidung im Harn nach Verabreichung an Menschen;
120-07-0

2,2'-(phenylimino)bis[ethanol]

480-93-3

indoxyl

Conditions
ConditionsYield
Alkalischmelze;
612-42-0

phenylglycine-o-carboxylic acid

480-93-3

indoxyl

Conditions
ConditionsYield
With potassium hydroxide at 250℃; unter vermindertem Druck;
579-98-6, 116306-61-7

N-acetyl-N-phenylglycine

480-93-3

indoxyl

Conditions
ConditionsYield
With aluminium trichloride

3-Hydroxyindole Specification

The CAS registry number of 3-Hydroxyindole is 480-93-3. The IUPAC name is 1H-indol-3-ol. In addition, it is a kind of green shiny needles with the molecular formula C8H7NO. Moreover, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.9; (6)ACD/BCF (pH 7.4): 6.9; (7)ACD/KOC (pH 5.5): 138.65; (8)ACD/KOC (pH 7.4): 138.63; (9)H bond acceptors: 2; (10)H bond donors: 2; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 14.16 Å2; (13)Index of Refraction: 1.739; (14)Molar Refractivity: 40.41 cm3; (15)Molar Volume: 100.3 cm3; (16)Polarizability: 16.01×10-24cm3; (17)Surface Tension: 65.8 dyne/cm; (18)Density: 1.327 g/cm3; (19)Flash Point: 161.4 °C; (20)Enthalpy of Vaporization: 61.03 kJ/mol; (21)Boiling Point: 343.2 °C at 760 mmHg; (22)Vapour Pressure: 3.61E-05 mmHg at 25 °C.

Preparation of 3-Hydroxyindole: this chemical can be prepared by Ethyl o-azidobenzoyl(phenyl)acetate. The other product is benzo[c]isoxazol-3-yl-phenyl-acetic acid ethyl ester. This reaction needs spray vacuum pyrolysis. The reaction time is 1 hour at temperature of 350 °C. And the yield is 30 %.

3-Hydroxyindole can be prepared by Ethyl o-azidobenzoyl(phenyl)acetate. The other product is benzo[c]isoxazol-3-yl-phenyl-acetic acid ethyl ester.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2c1ccccc1nc2
(2)Std. InChI: InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H
(3)Std. InChIKey: PCKPVGOLPKLUHR-UHFFFAOYSA-N

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