1-Benzocyclobutenecarbonitrile structure

1-Benzocyclobutenecarbonitrile

bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

Also Known As: 1-Benzocyclobutenecarbonitrile|1-cyanobenzocyclobutene|Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile|cyanobenzocyclobutene|1-2 weeks|1-CYANOBENZOCYCLOBUTANE|bicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile|KS-00003STT|AC-284|1-Benzocyclobutenecarbonitrile, >=95%|CC-1223|1,2-dihydrocyclobutabenzene-1-carbonitrile|1,2-dihydrocyclobuta[1,2-a]benzenecarbonitrile|1,2-dihydrocyclobuta[2,1-a]benzenecarbonitrile|809B912|Bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carbonitrile|Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile #|623-535-7

CAS: 6809-91-2
Molecular Formula C9H7N
Molecular Weight 129.05785 g/mol
LogP 1.2
Topological Polar Surface Area 23.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
Rotatable Bonds 0
Exact Mass 129.05785
Monoisotopic Mass 129.05785
Heavy Atoms 10
Complexity 176.0

Chemical Identifiers

CAS Number 6809-91-2
SMILES C1C(C2=CC=CC=C21)C#N
InChIKey FJIDKRPZJBUHME-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (36 patents) Organic Building Blocks (19 patents) Pharmaceutical Intermediates (21 patents)

Product Overview

1-Benzocyclobutenecarbonitrile (CAS 6809-91-2), with molecular formula C9H7N and molecular weight 129.05785 g/mol. IUPAC: bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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