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CAS No.: | 480-93-3 |
---|---|
Name: | 1H-Indol-3-ol |
Article Data: | 71 |
Molecular Structure: | |
Formula: | C8H7NO |
Molecular Weight: | 133.15 |
Synonyms: | Indol-3-ol(7CI,8CI);Indoxyl (6CI); |
Density: | 1.327 g/cm3 |
Melting Point: | 85-87 °C |
Boiling Point: | 343.192 °C at 760 mmHg |
Flash Point: | 161.357 °C |
Appearance: | yellow -green powder. |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 36.02000 |
LogP: | 1.87350 |
Conditions | Yield |
---|---|
at 575℃; | 95% |
ethyl o-azidobenzoyl(phenyl)acetate
A
indoxyl
B
3-<α-(ethoxycarbonyl)benzyl>-2,1-benzisoxazole
Conditions | Yield |
---|---|
at 350℃; for 1h; spray vacuum pyrolysis; | A 30% B 6% |
Conditions | Yield |
---|---|
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℃; |
1-phenylhydantoin
indoxyl
Conditions | Yield |
---|---|
With potassium hydroxide; sodium amide | |
With alkali metal | |
With alkaline earth metal | |
With barium(II) oxide at 250℃; |
Conditions | Yield |
---|---|
Alkalischmelze; |
Conditions | Yield |
---|---|
Ausscheidung im Harn nach Verabreichung an Menschen; |
Conditions | Yield |
---|---|
Alkalischmelze; |
Conditions | Yield |
---|---|
With potassium hydroxide at 250℃; unter vermindertem Druck; |
N-acetyl-N-phenylglycine
indoxyl
Conditions | Yield |
---|---|
With aluminium trichloride |
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 %.
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