Acetylenedicarbonitrile
Basic information
- CAS
1071-98-3- Standard SMILES
N#CC#CC#N- InChIKey
ZEHZNAXXOOYTJM-UHFFFAOYSA-N- Molecular formula
- C4N2
- Average molar mass
- 76.06 g/mol
- Monoisotopic mass
- 76.00614801
Names & identifiers
- Preferred name
- Acetylenedicarbonitrile
- IUPAC
- but-2-ynedinitrile
- English name
- but-2-ynedinitrile
- Molecular formula
- C4N2
- Molecular weight
- 76.06
Names & synonyms
2-ButynedinitrileDicyanoacetyleneACETYLENEDICARBONITRILE1,2-DicyanoacetyleneBRN 1735267NCC.$.CCNDTXSID501479194-02-00-02295 (Beilstein Handbook Reference)2ButynedinitrileSousazote de carbone2Butynedinitrile (9CI)RefChem:109147
Show more names
but-2-ynedinitrile
2-Butynedinitrile (9CI)DTXCID3070410ZEHZNAXXOOYTJM-UHFFFAOYSA-NDicyanoethyne1071-98-3Sous-azote de carboneSous-azote de carbone [French]dicyanovinylene
Database identifiers
- CAS
1071-98-3- PubChem CID
- 14068
- DTXSID
DTXSID50147919- Nikkaji
- J43.493K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesSchoenflies notation
Physical Descriptionmp = 20.5 deg C; [ChemIDplus]
Physicochemical properties
- Melting point
- 20.5 °C · 20.5°C
- Boiling point
- 76.55 °C · 76.55°C
- Density
- 0.9708 · 0.9708
- refractive index
- 1.4647 · 1.4647
- form
- liquid
- color
- clear colorless
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee NITRILES.
Toxicology
Adverse EffectsOther Poison - Chemical Asphyxiant
Toxicity DataLC50 (rat) = 12 mg/m3
Chemistry & industry
Applications
UsesDicyanoacetylene is used for nucleophilic addition; [4 + 2] cycloaddition reactions; metal complexes insertion reactions.
Preparation methods
PreparationThe synthetic route of Dicyanoacetylene is shown below:
Upstream & downstream products
Downstream products
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Related reactions
1 records
Compound notes
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