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2047-91-8

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2047-91-8 Structure

2047-91-8 Structure
IdentificationBack Directory
[Name]

1 2 3 4-TETRAHYDROCYCLOPENT(B) INDOLE
[CAS]

2047-91-8
[Synonyms]

NSC 112674
2,3-Trimethyleneindole
TETRAHYDROCYCLOPENT(B)INDOLE
1,2,3,4-Tetrahydro cyclopenta indole
1,2,3,4-Tetrahydrocyclopent[b] indole 96%
[Molecular Formula]

C11H11N
[MDL Number]

MFCD00225387
[MOL File]

2047-91-8.mol
[Molecular Weight]

157.21
Chemical PropertiesBack Directory
[Melting point ]

100.5-105.5 °C(lit.)
[Boiling point ]

160-162 °C(Press: 1 Torr)
[density ]

1.200±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Chloroform, Methanol
[form ]

powder to crystaline
[pka]

17.83±0.20(Predicted)
[color ]

Light yellow to Brown
[λmax]

230nm(EtOH aq.)(lit.)
[InChI]

1S/C11H11N/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10/h1-2,4,6,12H,3,5,7H2
[InChIKey]

HZDXFZHFEASSBM-UHFFFAOYSA-N
[SMILES]

C1Cc2[nH]c3ccccc3c2C1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2933.99.9701
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

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

• ;Reactant for thionium species-mediated functionalization at the 2α-position of indoles1• ;Reactant for preparation of tetramethylpiperidine-1-oxoammonium salts as oxidants2
[General Description]

1,2,3,4-Tetrahydrocyclopent[b] indole undergoes reduction in the presence of Pd/C and hydrogen gas to yield 1,2,3,3a,4,8b-hexahydrocyclopent[b]indole.
Spectrum DetailBack Directory
[Spectrum Detail]

1 2 3 4-TETRAHYDROCYCLOPENT(B) INDOLE(2047-91-8)IR
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