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157996 Sigma-Aldrich

1,3-Cycloheptadiene

95%

  • CAS Number 4054-38-0

  • Empirical Formula (Hill Notation) C7H10

  • Molecular Weight 94.15

  •  Beilstein/REAXYS Number 1847604

  •  EC Number 223-762-8

  •  MDL number MFCD00004155

  •  PubChem Substance ID 24849713

  •  NACRES NA.22

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Properties

Related Categories Alkenes, Building Blocks, Chemical Synthesis, Cyclic, Organic Building Blocks More...
assay   95%
impurities   ≤3% cycloheptatriene
refractive index   n20/D 1.498 (lit.)
bp   120-121 °C (lit.)
density   0.868 g/mL at 25 °C (lit.)
storage temp.   2-8°C
SMILES string   C1CC=CC=CC1
InChI   1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
InChI key   GWYPDXLJACEENP-UHFFFAOYSA-N

Description

General description

1,3-Cycloheptadiene is a 1,3-cycloalkadiene. Isomerization of highly strained (E,E)-1,3-cycloheptadiene was investigated through double bond rotation, and electrocyclic ring closure. [1,5] Sigmatropic hydrogen shifts in 1,3-cyclohepatdiene were studied by density functional calculations.

Application

1,3-Cycloheptadiene was used in the preparation of enantiopure epoxy cycloheptenyl sulfones.

Packaging

1, 5 g in ampule

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 3295BF 3 / PGII
WGK Germany 
WGK 3
Flash Point(F) 
51.8 °F - closed cup
Flash Point(C) 
11 °C - closed cup
Protocols & Articles
Peer-Reviewed Papers
15

References

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