Basic information
- CAS
72928-29-1- Standard SMILES
CCCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1- InChIKey
BWRJKFPLVHZYLY-UHFFFAOYSA-N- Molecular formula
- C24H31NO
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.24056461
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-carbonitrile, 4'-(undecyloxy)-
- IUPAC
- 4-(4-undecoxyphenyl)benzonitrile
- English name
- 4'-(undecyloxy)[1,1'-biphenyl]-4-carbonitrile
- Molecular formula
- C24H31NO
- Molecular weight
- 349.50904
Names & synonyms
72928-29-1EINECS 277-063-84-Cyano-4'-undecyloxybiphenyl[1,1'-Biphenyl]-4-carbonitrile, 4'-(undecyloxy)-4'-(UNDECYLOXY)[1,1'-BIPHENYL]-4-CARBONITRILEDTXSID8072663(1,1'-Biphenyl)-4-carbonitrile, 4'-(undecyloxy)-4'-(Undecyloxy)(1,1'-biphenyl)-4-carbonitrileRefChem:391100DTXCID4047416277-063-811OCB
Show more names
[1,1'-Biphenyl]-4-carbonitrile,4'-(undecyloxy)-SCHEMBL18945644-cyano-4'-n-undecyloxybiphenylBWRJKFPLVHZYLY-UHFFFAOYSA-NNS000374374 inverted exclamation marka-(Undecyloxy)[1,1 inverted exclamation marka-biphenyl]-4-carbonitrile
Database identifiers
- CAS
72928-29-1- PubChem CID
- 175302
- DTXSID
DTXSID8072663- EC Number
- 277-063-8
- Nikkaji
- J296.400G
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical diffusion
Physicochemical properties
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-4-carbonitrile, 4'-(undecyloxy)- (72928-29-1)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4-carbonitrile, 4'-(undecyloxy)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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