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ChemicalBook--->CAS DataBase List--->399-52-0

399-52-0

399-52-0 Structure

399-52-0 Structure
IdentificationMore
[Name]

5-Fluoroindole
[CAS]

399-52-0
[Synonyms]

5-FLUORO-1H-INDOLE
5-FLUOROINDOLE
AKOS JY2082903
BUTTPARK 24\07-33
Indole, 5-fluoro-
5-Fluoroindole98%
5-Fluoroindole,99%
5-Fluoro-1H-indole 99%
5-Fluoro-1H-indole99%
5-FLUOROINDOLE TOSYLATE
5-FLUORO-3-METHYLINDOLE
1H-Indole, 5-fluoro-
[EINECS(EC#)]

206-917-4
[Molecular Formula]

C8H6FN
[MDL Number]

MFCD00005671
[Molecular Weight]

135.14
[MOL File]

399-52-0.mol
Chemical PropertiesBack Directory
[Appearance]

off-white crystalline powder
[Melting point ]

45-48 °C (lit.)
[Boiling point ]

120 °C / 1mmHg
[density ]

1.1203 (estimate)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Crystalline Powder
[pka]

16.16±0.30(Predicted)
[color ]

Off-white
[BRN ]

112350
[InChI]

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

ODFFPRGJZRXNHZ-UHFFFAOYSA-N
[SMILES]

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

399-52-0(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-indole, 5-fluoro-(399-52-0)
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 .
[WGK Germany ]

3
[F ]

10
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Methanol-->Acetic acid-->N,N-Dimethylformamide-->Toluene-->Nitric acid-->Sodium nitrite-->Acetic anhydride-->Hydrazinium hydroxide solution-->ZINC-->Nickel-->Sodium bisulfite-->Sodium dithionite-->Fluoroboric acid-->N,N-Dimethylformamide dimethyl acetal-->Pyrrolidine-->Indole-->5-Fluoro-2-nitrotoluene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Fluoro-1H-indole(399-52-0).msds
Hazard InformationBack Directory
[Chemical Properties]

off-white crystalline powder
[Uses]

• ;Reactant for preparation of 5-HT6 receptor ligands1• ;Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators2• ;Reactant for preparation of antitumor agents3• ;Reactant for preparation of antibacterial agents4• ;Reactant for preparation of immunosuppressive agents5• ;Reactant for preparation of Sodium-Dependent Glucose Co-transporter 2 (SGLT2) Inhibitors for the Management of Hyperglycemia in Diabetes6• ;Reactant for preparation of Myeloperoxidase Inhibitors7• ;Reactant fo
[Definition]

ChEBI: An organofluorine compound that is the 5-fluoro derivative of indole.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Fluoroindole(399-52-0)1HNMR
5-Fluoroindole(399-52-0)IR
5-Fluoroindole(399-52-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Fluoroindole, 98%(399-52-0)
[Alfa Aesar]

5-Fluoroindole, 99%(399-52-0)
[Sigma Aldrich]

399-52-0(sigmaaldrich)
[TCI AMERICA]

5-Fluoroindole,>98.0%(GC)(399-52-0)
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