2-(Cyanomethoxy)benzonitrile
Basic information
- CAS
49615-99-8- Standard SMILES
N#CCOc1ccccc1C#N- InChIKey
HCNYAOKYHQWSMQ-UHFFFAOYSA-N- Molecular formula
- C9H6N2O
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.04801282
Names & identifiers
- Preferred name
- 2-(Cyanomethoxy)benzonitrile
- IUPAC
- 2-(cyanomethoxy)benzonitrile
- English name
- 2-(2-Cyano-phenoxy)acetonitrile
- Molecular formula
- C9H6N2O
- Molecular weight
- 158.16
Names & synonyms
2-(cyanomethoxy)benzonitrile49615-99-82-(2-Cyano-phenoxy)acetonitrileMFCD02257543SCHEMBL8888822SCHEMBL10375523AKOS000167123F94483F395570Benzonitrile, 2-(cyanomethoxy)-
Database identifiers
- CAS
49615-99-8- PubChem CID
- 4156437
- EC Number
- 126-510-4
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 231
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]
P264, P270, P301+P317, P330, 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%)
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Related reactions
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Compound notes
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