1-Formylcyclobutane-1-carbonitrile
Basic information
- CAS
1918186-21-6- Standard SMILES
N#CC1(C=O)CCC1- InChIKey
KNIBNWUTPJTCES-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276385
Names & identifiers
- Preferred name
- 1-Formylcyclobutane-1-carbonitrile
- IUPAC
- 1-formylcyclobutane-1-carbonitrile
Names & synonyms
1-formylcyclobutane-1-carbonitrile1-Formylcyclobutanecarbonitrile1918186-21-6SCHEMBL10332170AT49087DB-162621CS-0343632
Database identifiers
- CAS
1918186-21-6- PubChem CID
- 58018596
- EC Number
- 174-486-9
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 149
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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