Basic information
- CAS
3716-97-0- Standard SMILES
N#CC1=C(C#N)CC1- InChIKey
VMFXYPBFHHRGKQ-UHFFFAOYSA-N- Molecular formula
- C6H4N2
- Average molar mass
- 104.11 g/mol
- Monoisotopic mass
- 104.03744814
Names & identifiers
- Preferred name
- 1-Cyclobutene-1,2-dicarbonitrile
- IUPAC
- cyclobutene-1,2-dicarbonitrile
- English name
- 1,2-Dicyanocyclobutene
- Molecular formula
- C6H4N2
- Molecular weight
- 104.11
Names & synonyms
1,2-Dicyanocyclobutene3716-97-01-CYCLOBUTENE-1,2-DICARBONITRILE1,2-Cyclobutenedicarbonitrile1,2-Dicyanocyclobutene-1BRN 0878353DTXSID10190643RefChem:75474DTXCID50113134cyclobutene-1,2-dicarbonitrilecyclobut-1-ene-1,2-dicarbonitrileSCHEMBL9423413
Show more names
1,2-dicyano-1-cyclobutene
SBB059656AKOS006280354DB-069501ST51044571
Database identifiers
- CAS
3716-97-0- PubChem CID
- 19474
- DTXSID
DTXSID10190643- Nikkaji
- J48.589F
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Boiling point
- 57 °C · 57 °C(Press: 1 Torr)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- solubility
- 2 O; · insol H2O; sol most organic solvents.
- Appearance
- colorless liquid
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Applications
UsesUsed as reactive dienophile in [4 + 2], [3 + 2], and [2 + 2] Diels-Alder additions; reactive diene in [4 + 2] inverse electron demand Diels-Alder additions upon in situ thermolytic cleavage to 2,3-dicyanobutadiene.
Suppliers2 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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