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| CAS No.: | 1477-50-5 |
|---|---|
| Name: | Indole-2-carboxylic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C9H7NO2 |
| Molecular Weight: | 161.16 |
| Synonyms: | 1H-Indole-2-carboxylic acid (9CI);1H-indole-2-carboxylate;2-Carboxyindole;2-Indole carboxylic acid,methyl ester;2-Indolecarboxylic acid:Indole-2-carboxylic acid;indole-2-formic acid;Indole-2-carboxlicacid;1H-2-Indolecarboxylic acid; |
| EINECS: | 216-030-4 |
| Density: | 1.408 g/cm3 |
| Melting Point: | 202-206 °C(lit.) |
| Boiling Point: | 419.6 °C at 760 mmHg |
| Flash Point: | 207.6 °C |
| Appearance: | Off-white crystal powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-21/22 |
| Safety: | 22-24/25 |
| PSA: | 53.09000 |
| LogP: | 1.86610 |
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| Conditions | Yield |
|---|---|
| With potassium hydroxide In water at 120℃; for 0.5h; | 99.9% |
| With sodium hydroxide In ethanol; water at 70℃; for 2h; | 97% |
| With sodium hydroxide at 200℃; for 0.0166667h; Irradiation; microwave; | 94% |
- 40899-93-2
1-(phenylsulfonyl)-1H-indole-2-carboxylic acid
- 1477-50-5
Indole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| With sodium t-butanolate In 1,4-dioxane at 80℃; for 3h; Inert atmosphere; | 98% |
| Conditions | Yield |
|---|---|
| With sodium dithionite In 1,4-dioxane; water for 3h; Reflux; | 96% |
| With sodium hydroxide; sodium dithionite |
- 16851-56-2
indolin-2-yl carboxylic acid
- 1477-50-5
Indole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In decane at 150℃; for 36h; Inert atmosphere; Schlenk technique; | 96% |
| With carbon dioxide; DBN; Eosin Y In dimethyl sulfoxide at 25 - 30℃; for 48h; Irradiation; | 91% |
| With 4-tert-Butylcatechol; oxygen In water at 20℃; for 20h; Green chemistry; | 80% |
| With perylene diimide covalent immobilized to SiO2 nanospheres; air In N,N-dimethyl acetamide at 20℃; UV-irradiation; | 67% |
| With oxygen at 80℃; under 760.051 Torr; for 6h; Catalytic behavior; Green chemistry; chemoselective reaction; |
- 1477-50-5
Indole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| With methanol; potassium carbonate; copper(I) bromide In N,N-dimethyl-formamide at 20 - 120℃; Reagent/catalyst; Temperature; Solvent; | 95% |
- 52900-69-3, 77435-90-6, 82301-55-1
(Z)-2-phenyl-4-(2-chlorobenzylidene)-(4H)-1,3-oxazol-5-one
- 1477-50-5
Indole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| With methanol; copper; sodium carbonate In toluene at 20 - 120℃; | 90% |
| Conditions | Yield |
|---|---|
| With potassium phosphate; bis(N,N'-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)palladium(0) In 1,4-dioxane at 100℃; for 10h; Inert atmosphere; | 89% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-1H-indole With isopropylmagnesium chloride In tetrahydrofuran at 0℃; for 0.166667h; Stage #2: With n-butyllithium In tetrahydrofuran; hexane at -20℃; for 0.5h; Stage #3: carbon dioxide In tetrahydrofuran; hexane at -20℃; for 0.5h; | 85% |
- 1477-50-5
Indole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol; dimethyl sulfoxide at 100℃; for 11h; regioselective reaction; | 84% |
| Conditions | Yield |
|---|---|
| With 1,4-diaza-bicyclo[2.2.2]octane; palladium diacetate In N,N-dimethyl-formamide at 105℃; | 82% |
| With 1,4-diaza-bicyclo[2.2.2]octane; palladium diacetate In N,N-dimethyl-formamide at 105℃; Inert atmosphere; regioselective reaction; | 82% |
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Chemistry
Product Name: Indole-2-carboxylic acid (CAS NO.1477-50-5)
Molecular Formula: C9H7NO2
Molecular Weight: 161.16g/mol
Mol File: 1477-50-5.mol
EINECS: 216-030-4
Melting Point: 202-206 °C(lit.)
Boiling point: 419.6 °C at 760 mmHg
Flash Point: 207.6 °C
Density: 1.408 g/cm3
Index of Refraction: 1.725
Molar Refractivity: 45.45 cm3
Molar Volume: 114.4 cm3
Surface Tension: 71.6 dyne/cm
Enthalpy of Vaporization: 70.99 kJ/mol
Vapour Pressure: 8.6E-08 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 2
H-Bond Acceptor: 2
Structure Descriptors of Indole-2-carboxylic acid (CAS NO.1477-50-5):
IUPAC Name: 1H-indole-2-carboxylic acid
Canonical SMILES: C1=CC=C2C(=C1)C=C(N2)C(=O)O
InChI: InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
InChIKey: HCUARRIEZVDMPT-UHFFFAOYSA-N
Product Categories: Indole/indoline/oxindole; indole derivative; Indole and Indoline; Indoles and derivatives; Carboxylic Acids; Pyrroles & Indoles; Indole; Organic acids; Amino Acids 13C, 2H, 15N; Indoles; Simple Indoles; Amino Acids & Derivatives; Indole Derivatives; Carboxylic Acids; Pyrroles & Indoles
Safety Profile
Safety Information of Indole-2-carboxylic acid (CAS NO.1477-50-5):
Hazard Codes: Xn
,Xi
Risk Statements: 36/37/38-21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21:Harmful by inhalation and in contact with skin.
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: NK7882812
Hazard Note: Irritant
HazardClass: IRRITANT
HS Code: 29339990
Specification
Indole-2-carboxylic acid , its CAS NO. is 1477-50-5, the synonyms are 2-Carboxyindole ; 2-Indolecarboxylic acid ; 1H-Indole-2-carboxylic acid (9CI) .