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469068 Sigma-Aldrich

1-Bromobenzocyclobutene

95%

  • CAS Number 21120-91-2

  • Empirical Formula (Hill Notation) C8H7Br

  • Molecular Weight 183.05

  •  MDL number MFCD17976891

  •  PubChem Substance ID 24870555

  •  NACRES NA.22

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Properties

Related Categories Alkenyl, Building Blocks, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks More...
Quality Level   100
assay   95%
refractive index   n20/D 1.59 (lit.)
bp   90 °C/10.5 mmHg (lit.)
density   1.45 g/mL at 25 °C (lit.)
SMILES string   BrC1Cc2ccccc12
InChI   1S/C8H7Br/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2
InChI key   AYNXHFRDABNHRX-UHFFFAOYSA-N

Description

General description

1-Bromobenzocyclobutene is a useful synthon. It has important applications in organometallic methodology. Reaction between cycloheptatriene, bromoform, potassium carbonate and 18-crown-6 at 140°C yields 1-bromobenzocyclobutene.

Application

1-Bromobenzocyclobutene may be used in the synthesis of following compounds:
• five-membered zirconacycles
• benzocyclobutenol and benzocyclobutenone
• 2,3-dimethoxyprotoberberinium bromide, via reaction with 3,4-dihydro-6,7-dimethoxyisoquinoline

Packaging

1 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
204.8 °F - closed cup
Flash Point(C) 
96.00 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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