ChemicalBook--->CAS DataBase List--->399-51-9

399-51-9

399-51-9 Structure

399-51-9 Structure
IdentificationMore
[Name]

6-Fluoroindole
[CAS]

399-51-9
[Synonyms]

1H-INDOLE, 6-FLUORO-
6-FLUORO-1H-INDOLE
6-FLUOROINDOLE
BUTTPARK 24\07-34
6-Fluoroindole98%
6-FLUORO-2-IODOBENZALDEHYDE
[EINECS(EC#)]

700-113-1
[Molecular Formula]

C8H6FN
[MDL Number]

MFCD00056933
[Molecular Weight]

135.14
[MOL File]

399-51-9.mol
Chemical PropertiesBack Directory
[Appearance]

beige-brown crystalline powder
[Melting point ]

72-76 °C (lit.)
[Boiling point ]

230°C (rough estimate)
[density ]

1.1203 (estimate)
[storage temp. ]

2-8°C
[form ]

Crystalline Powder
[pka]

16.40±0.30(Predicted)
[color ]

Beige-brown
[Water Solubility ]

Insoluble
[Sensitive ]

Light Sensitive
[Detection Methods]

HPLC,NMR
[BRN ]

112192
[InChI]

InChI=1S/C8H6FN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
[InChIKey]

YYFFEPUCAKVRJX-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC(F)=C2)C=C1
[CAS DataBase Reference]

399-51-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[F ]

10
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29339900
Hazard InformationBack Directory
[Chemical Properties]

beige-brown crystalline powder
[Uses]

6-Fluoroindole acts as a reagent in the synthesis of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles, which acts as a potential anticancer immunomodulator. It is also employed as an antifungal and antibacterial agent. Further, it serves as a potent selective serotonin reuptake inhibitor. In addition to this, it is used as a inhibitor of HIV-1 attachment.
[General Description]

6-Fluoroindole is a halogen substituted indole. Experimental ionization potential of 6-fluoroindole has been evaluated. Preparation of 6-fluoroindole via nitration of indoline has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

6-Fluoroindole(399-51-9)1HNMR
6-Fluoroindole(399-51-9)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

6-Fluoroindole, 98%(399-51-9)
[Alfa Aesar]

6-Fluoroindole, 98%(399-51-9)
[Sigma Aldrich]

399-51-9(sigmaaldrich)
[TCI AMERICA]

6-Fluoroindole,>98.0%(GC)(399-51-9)
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