Basic information
- CAS
269075-63-0- Standard SMILES
N#Cc1ccccc1OCC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
RIJIWVQYFPUVMM-UHFFFAOYSA-N- Molecular formula
- C21H15NO2
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.11027872
Names & identifiers
- Preferred name
- 2-(2-(1,1'-Biphenyl)-4-YL-2-oxoethoxy)benzonitrile
- IUPAC
- 2-[2-oxo-2-(4-phenylphenyl)ethoxy]benzonitrile
Names & synonyms
2-(2-(1,1'-biphenyl)-4-yl-2-oxoethoxy)benzonitrile2-(2-[1,1'-biphenyl]-4-yl-2-oxoethoxy)benzonitrileRefChem:452371269075-63-0668-420-2AKOS024328512
Database identifiers
- CAS
269075-63-0- PubChem CID
- 7433481
- EC Number
- 668-420-2
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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