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1-Benzocyclobutenecarbonitrile

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1-Benzocyclobutenecarbonitrile Basic information
Product Name:1-Benzocyclobutenecarbonitrile
Synonyms:Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile;1-BENZOCYCLOBUTENECARBONITRILE;BICYCLO[4.2.0]OCTA-1(6),2,4-TRIENE-7-CARBONITRILE;1-cyanobenzocyclobutene;1-CNBCB 1-Cyanobenzocyclobutene;Bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carbonitrile;1-Benzocyclobutenecarbonitrile ISO 9001:2015 REACH;bicycl[4.2.0]octa-1,3,5-triene-7-carbonitrile
CAS:6809-91-2
MF:C9H7N
MW:129.16
EINECS:
Product Categories:C8 to C9;Cyanides/Nitriles;Nitrogen Compounds;API intermediates
Mol File:6809-91-2.mol
1-Benzocyclobutenecarbonitrile Structure
1-Benzocyclobutenecarbonitrile Chemical Properties
Boiling point 88 °C/1.3 mmHg (lit.)
density 1.055 g/mL at 25 °C (lit.)
refractive index n20/D 1.5479(lit.)
Fp >230 °F
form liquid
InChI1S/C9H7N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5H2
InChIKeyFJIDKRPZJBUHME-UHFFFAOYSA-N
SMILESN#CC1Cc2ccccc12
NIST Chemistry Reference1-Benzocyclobutenecarbonitrile(6809-91-2)
Safety Information
Hazard Codes Xn
Risk Statements 20/21/22-36/37/38
Safety Statements 26-37/39
WGK Germany 3
HS Code 2926907090
Storage Class10 - Combustible liquids
Hazard ClassificationsAcute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
SigmaAldrich English
1-Benzocyclobutenecarbonitrile Usage And Synthesis
Uses1-Benzocyclobutenecarbonitrile was used as precursors of R-cyano- or R-keto-substituted o-quinodimethanes.
Synthesis Reference(s)Journal of the American Chemical Society, 80, p. 2257, 1958 DOI: 10.1021/ja01542a055
The Journal of Organic Chemistry, 27, p. 3836, 1962 DOI: 10.1021/jo01058a019
General DescriptionEnantiomeric resolution of 1-benzocyclobutenecarbonitrile by CHIRALPAK IA, CHIRALPAK IB and CHIRALPAK IC (new generation chiral stationary phases) by chromatography was reported.
1-Benzocyclobutenecarbonitrile Preparation Products And Raw materials
Preparation Products3H-Diazirine,3-bicyclo[4.2.0]octa-1,3,5-trien-7-yl-3-fluoro-(9CI)
Tag:1-Benzocyclobutenecarbonitrile(6809-91-2) Related Product Information
Maleic anhydride 3-Sulfolene 3-Methyl-3-buten-1-ol Maleic acid Methyl 4-cyanobenzoate Difenoconazole Benzocyclobutene Sodium cyanoborohydride BUTYRONITRILE 2-Methylbenzyl cyanide Benzeneacetonitrile Propionitrile Hydrogen cyanide 4,5-Dimethoxy-1-cyanobenzocyclobutane alpha-Methylphenylacetonitrile 3-Phenylpropionitrile 2-Methylbutyronitrile Isobutyronitrile