| Identification | More | [Name]
6-Fluoroindole-2-carboxylic acid | [CAS]
3093-97-8 | [Synonyms]
6-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID
6-FLUOROINDOLE-2-CARBOXYLIC ACID
AKOS JY2083056
1H-6-FLUOROINDOLE-2-CARBOXYLIC ACID | [EINECS(EC#)]
815-842-1 | [Molecular Formula]
C9H6FNO2 | [MDL Number]
MFCD01863162 | [Molecular Weight]
179.15 | [MOL File]
3093-97-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
246 °C (decomp) | [Boiling point ]
422.2±25.0 °C(Predicted) | [density ]
1.510±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
powder to crystal | [pka]
4.38±0.30(Predicted) | [color ]
Light yellow to Yellow to Orange | [Sensitive ]
Light Sensitive | [InChI]
InChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13) | [InChIKey]
LRTIKMXIKAOCDM-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=CC(F)=C2)C=C1C(O)=O | [CAS DataBase Reference]
3093-97-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,F | [Risk Statements ]
R10:Flammable.
R15:Contact with water liberates extremely flammable gases.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S7/8:Keep container tightly closed and dry .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S43:In case of fire, use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add-Never use water) . | [HazardClass ]
IRRITANT | [HS Code ]
2933998090 |
| Hazard Information | Back Directory | [Uses]
6-Fluoroindole-2-carboxylic acid is a carboxylic acid derivative and is used as an organic synthesis intermediate and a pharmaceutical intermediate.
| [Synthesis]
GENERAL PROCEDURE: A mixture of ethyl 6-fluoroindole-2-carboxylate (33.5 g, 0.15 mol), 4% sodium hydroxide solution (335 mL), and anhydrous ethanol (335 mL) was heated to reflux for 3 hours. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently poured into ice water. The pH of the mixture was adjusted to 5 with glacial acetic acid and then the precipitate was collected by filtration. 6-Fluoroindole-2-carboxylic acid was finally obtained as a white solid (26.4 g, 90% yield). | [References]
[1] European Journal of Medicinal Chemistry, 2011, vol. 46, # 7, p. 3149 - 3157
[2] Journal of the Chemical Society, 1955, p. 1283,1284 |
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