2-(Hexyloxy)benzonitrile
Basic information
- CAS
121554-15-2- Standard SMILES
CCCCCCOc1ccccc1C#N- InChIKey
BEIVVUUHIAJYFR-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- 2-(Hexyloxy)benzonitrile
- IUPAC
- 2-hexoxybenzonitrile
- English name
- Benzonitrile,2-(hexyloxy)-
- Molecular formula
- C13H17NO
- Molecular weight
- 203.28
Names & synonyms
2-(Hexyloxy)benzonitrile121554-15-2Benzonitrile,2-(hexyloxy)-2-hexoxybenzonitrile2-n-HexyloxybenzonitrileMFCD09717200SCHEMBL16188206DTXSID501313116DB-050331H81472F3958862-Cyanophenyl hexyl ether
Database identifiers
- CAS
121554-15-2- PubChem CID
- 20636613
- DTXSID
DTXSID501313116- Nikkaji
- J2.829.173F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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