ChemicalBook--->CAS DataBase List--->13618-91-2

13618-91-2

13618-91-2 Structure

13618-91-2 Structure
IdentificationBack Directory
[Name]

4,5,6,7-TETRAHYDROINDOLE
[CAS]

13618-91-2
[Synonyms]

NSC 122455
Cyclohex[b]pyrrole
4,5,6,7-TETRAHYDROINDOLE
2,3-Tetramethylenepyrrole
4,5,6,7-Tetrahydroindole 98%
4,5,6,7-TETRAHYDRO-1H-INDOLE
4,5,6,7-TETRAHYDROINDOLE 98+%
1H-Indole, 4,5,6,7-tetrahydro-
[Molecular Formula]

C8H11N
[MDL Number]

MFCD00012134
[MOL File]

13618-91-2.mol
[Molecular Weight]

121.18
Chemical PropertiesBack Directory
[Melting point ]

53-57 °C(lit.)
[Boiling point ]

64 °C(Press: 0.1 Torr)
[density ]

1.057±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

18.03±0.20(Predicted)
[Appearance]

Brown to pink Solid
[BRN ]

108853
[InChI]

InChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H2
[InChIKey]

KQBVVLOYXDVATK-UHFFFAOYSA-N
[SMILES]

N1C2=C(CCCC2)C=C1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[F ]

1-10
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

4,5,6,7-Tetrahydro-1H-indole is used in preparation of chiral tetraaryl-substituted Methane. Also, used in preparation of 4-substituted Phenylamidine derivatives used for controlling phytopathogenic microorganisms.
[General Description]

4,5,6,7-Tetrahydroindoles, due to their easy aromatization, are good intermediates to synthesize indoles. 4,5,6,7-Tetrahydroindole on condensation with cyanoacetate leads to 1-ethylthio-2-cyano-4,5,6,7-tetrahydrocyclohexa-[c]-3H-pyrrolizin-3-one.
Spectrum DetailBack Directory
[Spectrum Detail]

4,5,6,7-TETRAHYDROINDOLE(13618-91-2)1HNMR
4,5,6,7-TETRAHYDROINDOLE(13618-91-2)Raman
4,5,6,7-TETRAHYDROINDOLE(13618-91-2)FT-IR
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