Bicyclo[1.1.1]pentane-1,3-dicarbonitrile
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Basic information
- CAS
97460-11-2- Standard SMILES
N#CC12CC(C#N)(C1)C2- InChIKey
HNTKAPVQSNQYAX-UHFFFAOYSA-N- Molecular formula
- C7H6N2
- Average molar mass
- 118.14 g/mol
- Monoisotopic mass
- 118.0530982
Names & identifiers
- Preferred name
- Bicyclo[1.1.1]pentane-1,3-dicarbonitrile
- IUPAC
- bicyclo[1.1.1]pentane-1,3-dicarbonitrile
- English name
- bicyclo[1.1.1]pentane-1,3-dicarbonitrile
- Molecular formula
- C7H6N2
- Molecular weight
- 118.13594
Names & synonyms
Bicyclo[1.1.1]pentane-1,3-dicarbonitrile97460-11-2MFCD31705889SCHEMBL34463678AT22738BS-52390F843235
Database identifiers
- CAS
97460-11-2- PubChem CID
- 86129484
- Nikkaji
- J2.087.116D
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- storage temp.
- 0 · Store at 0-8 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-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
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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