1-(Methoxymethyl)cyclobutane-1-carbonitrile
Basic information
- CAS
1387565-89-0- Standard SMILES
COCC1(C#N)CCC1- InChIKey
KNFQUIAEHPLNEH-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Names & identifiers
- Preferred name
- 1-(Methoxymethyl)cyclobutane-1-carbonitrile
- IUPAC
- 1-(methoxymethyl)cyclobutane-1-carbonitrile
- English name
- 1-Methoxymethyl-cyclobutanecarbonitrile
- Molecular formula
- C7H11NO
- Molecular weight
- 125.17
Names & synonyms
1-(METHOXYMETHYL)CYCLOBUTANE-1-CARBONITRILE1387565-89-01-Methoxymethyl-cyclobutanecarbonitrileSCHEMBL19601432EN300-785330Cyclobutanecarbonitrile, 1-(methoxymethyl)-
Database identifiers
- CAS
1387565-89-0- PubChem CID
- 97033905
- EC Number
- 182-052-5
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 195.8 · 195.8±13.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, 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, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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