ChemicalBook--->CAS DataBase List--->1468-84-4

1468-84-4

1468-84-4 Structure

1468-84-4 Structure
IdentificationBack Directory
[Name]

5,6-DIHYDRO-1-BENZOTHIOPHENE-7(4H)-ONE
[CAS]

1468-84-4
[Synonyms]

RARECHEM AK MA K002
5,6-dihydro-4H-1-benzothiophen-7-one
5,6-dihydro-1-benzothiophen-7(4H)-one
5,6-DIHYDROBENZO[B]THIOPHEN-7(4H)-ONE
5,6-DIHYDRO-1-BENZOTHIOPHENE-7(4H)-ONE
[Molecular Formula]

C8H8OS
[MDL Number]

MFCD01860756
[MOL File]

1468-84-4.mol
[Molecular Weight]

152.21
Chemical PropertiesBack Directory
[Melting point ]

36-38 °C
[Boiling point ]

97-103 °C(Press: 1 Torr)
[density ]

1.245±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

Yellow to brown Liquid
[InChI]

InChI=1S/C8H8OS/c9-7-3-1-2-6-4-5-10-8(6)7/h4-5H,1-3H2
[InChIKey]

JEJQJCKVMQVOHZ-UHFFFAOYSA-N
[SMILES]

C12SC=CC=1CCCC2=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

5,6-Dihydrobenzo[b]thiophen-7(4H)-one is an intermediate used to prepare thiadiaminooxopyrimidine derivatives with antitumor activities. It is also used to synthesize (aminoalkyl)benzo- and -thienocycloalkanones as atypical antipsychotics.
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 2, p. 44, 1965 DOI: 10.1002/jhet.5570020109
Tetrahedron Letters, 16, p. 2885, 1975
Spectrum DetailBack Directory
[Spectrum Detail]

5,6-DIHYDRO-1-BENZOTHIOPHENE-7(4H)-ONE(1468-84-4)1HNMR
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