Cas no 3211-20-9 (trans-Cyclobutane-1,2-dicarbonitrile)

Technical Introduction: trans-Cyclobutane-1,2-dicarbonitrile trans-Cyclobutane-1,2-dicarbonitrile is a rigid, bicyclic dinitrile compound characterized by its trans-configuration across the cyclobutane ring. This structural feature imparts enhanced stability and distinct reactivity, making it a valuable intermediate in organic synthesis, particularly for constructing strained ring systems and functionalized cyclobutanes. Its high purity and well-defined geometry facilitate precise transformations in pharmaceuticals, agrochemicals, and materials science. The compound’s electron-withdrawing nitrile groups further enable diverse derivatization, including cycloadditions and nucleophilic substitutions. Suitable for controlled reactions, it offers synthetic flexibility while maintaining predictable stereochemistry, appealing to researchers developing complex molecular architectures.
trans-Cyclobutane-1,2-dicarbonitrile structure
3211-20-9 structure
Product Name:trans-Cyclobutane-1,2-dicarbonitrile
CAS No:3211-20-9
MF:C6H6N2
MW:106.125240802765
MDL:MFCD00221717
CID:313953
PubChem ID:6951362
Update Time:2025-05-28

trans-Cyclobutane-1,2-dicarbonitrile Chemical and Physical Properties

Names and Identifiers

    • trans-Cyclobutane-1,2-dicarbonitrile
    • 1,2-Cyclobutanedicarbonitrile,(1R,2R)-rel-
    • trans-1,2-Cyclobutanedicarbonitrile
    • 1,2-Cyclobutanedicarbonitrile, (E)-
    • trans-1,2-Dicyanocyclobutane
    • USAF st-1
    • 1,2-Cyclobutanedicarbonitrile, trans-
    • SCHEMBL626597
    • CZPLUOCTUPJSIZ-WDSKDSINSA-N
    • MFCD00221717
    • EN300-216101
    • P17140
    • CS-0047746
    • 3211-20-9
    • DTXSID40880883
    • AKOS016009698
    • AS-53803
    • (1R,2R)-cyclobutane-1,2-dicarbonitrile
    • MDL: MFCD00221717
    • Inchi: 1S/C6H6N2/c7-3-5-1-2-6(5)4-8/h5-6H,1-2H2/t5-,6-/m0/s1
    • InChI Key: CZPLUOCTUPJSIZ-WDSKDSINSA-N
    • SMILES: N#C[C@@H]1CC[C@H]1C#N

Computed Properties

  • Exact Mass: 106.05318
  • Monoisotopic Mass: 106.053098
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 47.6

Experimental Properties

  • Color/Form: Not available
  • Density: 1.08
  • Melting Point: 32-37?°C
  • Boiling Point: 292.1°Cat760mmHg
  • Flash Point: 150.5°C
  • Refractive Index: 1.475
  • PSA: 47.58
  • LogP: 1.05976
  • Solubility: Not available

trans-Cyclobutane-1,2-dicarbonitrile Security Information

  • WGK Germany:3
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: 26-36/37
  • Hazardous Material Identification: Xn
  • Risk Phrases:20/21/22-36/37/38

trans-Cyclobutane-1,2-dicarbonitrile Pricemore >>

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trans-Cyclobutane-1,2-dicarbonitrile Related Literature

  • 1. Hexacyclo[8.7.0.03,8.05,15.06,13.012,16]heptadeca-1(10),5-diene-3,8-dicarboxylic anhydride, a tetrahydro[4]beltene with two σ-conjugated double bonds
    Wolfram Grimme,Heinz Geich,Johann Lex,Jürgen Heinze J. Chem. Soc. Perkin Trans. 2 1997 1955
  • 2. Photodimerization of 1-substituted acenaphtylenes in solution and in the solid state
    H. Bouas-Laurent,A. Castellan,J. P. Desvergne,G. Dumartin,C. Courseille,J. Gaultier,C. Hauw J. Chem. Soc. Chem. Commun. 1972 1267
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