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CAS Number: 1468-84-4
5,6-dihydrobenzo[b]thiophen-7(4H)-one

Structure

5,6-dihydrobenzo[b]thiophen-7(4H)-one
Name: 5,6-dihydrobenzo[b]thiophen-7(4H)-one
Synonyms:
General Information
Product Number: 1468844

CAS Registry Number 1468-84-4
Name:
Benzo[b]​thiophen-​7(4H)​-​one, 5,​6-​dihydro-
5,6-Dihydro-1-benzothiophene-7(4H)-one
5,6-Dihydrobenzo[b]thiophen-7(4H)-one
Thiopheno[2',3':1,2]cyclohexan-6-one

 

Chemical Formula: C8H8OS
Exact Mass: 152.03
Molecular Weight: 152.21
m/z: 152.03 (100.0%), 153.03 (9.5%), 154.03 (4.8%)

 

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

InChI Key:JEJQJCKVMQVOHZ-UHFFFAOYSA-N

Canonical SMILES:C1CC2=C(C(=O)C1)SC=C2

 

Thermal Properties Value Condition Note
Boiling Point 153 °C Press: 18 Torr (1)CAS
Boiling Point 97-103 °C Press: 1 Torr (2)CAS
Melting Point 156.5-157.5 °C   (4)CAS
Melting Point 36-38 °C   (2)CAS
Melting Point 34.5 °C   (1)CAS
Melting Point 34-35 °C   (5)CAS
Melting Point 34 °C   (6)IC

Specification

98%

References
  1. (1) Cagniant, Paul; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques 1968, V266(26), P1784-6 CAPLUS
  2. (2) Gol'dfarb, Ya. L.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1963, (8), P1451-60 CAPLUS
  3. (4) Fabrichnyi, B. P.; Zhurnal Organicheskoi Khimii 1968, V4(4), P680-8 CAPLUS
  4. (5) MacDowell, D. W. H.; Journal of Heterocyclic Chemistry 1965, V2(1), P44-8 CAPLUS
  5. (6) Conjat, Jean R.; Tetrahedron Letters 1975, (33), P2885-8 CAPLUS
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