| Identification | Back 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 Properties | Back 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 Data | Back 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 Information | Back 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. |
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