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Benzocyclobutene
[CAS# 4026-23-7]

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Achemica Switzerland Inquire  
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Chemical manufacturer since 2010
ChemPacific Corp USA Inquire  
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Chemical manufacturer since 1995
Fluorochem Ltd. UK Inquire  
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Chemical manufacturer
Identification
Name Benzocyclobutene
Synonyms Benzocyclobutene; Bicyclo(4.2.0)Octa-1,3,5,7-Tetraene
Molecular Structure CAS#: 4026-23-7, Benzocyclobutene
Molecular Formula C8H6
Molecular Weight 102.14
CAS Registry Number 4026-23-7
SMILES C1=CC=CC2=C1C=C2
InChI 1S/C8H6/c1-2-4-8-6-5-7(8)3-1/h1-6H
InChIKey WHEATZOONURNGF-UHFFFAOYSA-N
Properties
Density 1.086g/cm3 (Cal.)
Boiling point 174.984°C at 760 mmHg (Cal.)
Flash point 50.684°C (Cal.)
References
(1) Christos E. Kefalidis, Olivier Baudoin and Eric Clot. DFT study of the mechanism of benzocyclobutene formation by palladium-catalysed C(sp)–H activation: role of the nature of the base and the phosphine, Dalton Trans., 2010, 39, 10528.
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