1,2-Dicyanocyclobutane
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Basic information
- CAS
3211-20-9- Standard SMILES
N#CC1CCC1C#N- InChIKey
CZPLUOCTUPJSIZ-UHFFFAOYSA-N- Molecular formula
- C6H6N2
- Average molar mass
- 106.13 g/mol
- Monoisotopic mass
- 106.0530982
Names & identifiers
- Preferred name
- 1,2-Dicyanocyclobutane
- IUPAC
- cyclobutane-1,2-dicarbonitrile
- English name
- CYCLOBUTANE-1,2-DICARBONITRILE
- Molecular formula
- C6H6N2
- Molecular weight
- 106.13
Names & synonyms
3396-17-61,2-DicyanocyclobutaneEINECS 222-250-1RefChem:71871222-250-1cyclobutane-1,2-dicarbonitrile1,2-CyclobutanedicarbonitrileMFCD00001316trans-1,2-Cyclobutanedicarbonitrile1,2-Cyclobutanedicarbonitrile, trans-USAF ST-11,2-CYCLOBUTANEDICARBONITRILE, (E)-
Show more names
Cyclobutane-1,2-dicarbonitrile / 1,2-Dicyanocyclobutane
cis-1,2-CyclobutanedicarbonitrileEINECS 221-722-4NSC 737041,2-DicyancyclobutanAI3-50493cyclobutane-1,2-dinitrileSCHEMBL626596DTXSID501314621
Database identifiers
- CAS
3211-20-9、3396-17-6- PubChem CID
- 18566
- DTXSID
DTXSID501314621- EC Number
- 222-250-1
- Nikkaji
- J205.498A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- 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
- 155
Physicochemical properties
- Melting point
- 45 · 45-50 °C
- Boiling point
- 85 · 85-87 °C(Press: 17 Torr)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P271-P261-P270-P264-P304-P340-P312-P301-P330-P302-P352-P362-2-P363-P332-P313-P305-P351-P338-P337-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P280-P271-P261-P270-P264-P304-P340-P312-P301-P330-P302-P352-P362-2-P363-P332-P313-P305-P351-P338-P337-P405-P501
Related reactions
2 records
Compound notes
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