2-cyano-N-(4-phenoxyphenyl)acetamide
Basic information
- CAS
80419-13-2- Standard SMILES
N#CCC(=O)Nc1ccc(Oc2ccccc2)cc1- InChIKey
OXHIWEJGDRONFQ-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Names & identifiers
- Preferred name
- 2-cyano-N-(4-phenoxyphenyl)acetamide
- IUPAC
- 2-cyano-N-(4-phenoxyphenyl)acetamide
- English name
- 2-Cyano-N-(4-phenoxy-phenyl)-acetamide
- Molecular formula
- C15H12N2O2
- Molecular weight
- 252.27
Names & synonyms
2-cyano-N-(4-phenoxyphenyl)acetamide80419-13-2RefChem:470700979-480-72-Cyano-N-(4-phenoxy-phenyl)-acetamideEnamine_003000Oprea1_852042SCHEMBL12297970HMS1402I08FDA41913AKOS000115049NCGC00324155-01
Show more names
Acetamide, 2-cyano-N-(4-phenoxyphenyl)-
CS-0218570EN300-01396G36368AB01320275-02Z56837084
Database identifiers
- CAS
80419-13-2- PubChem CID
- 4464461
- EC Number
- 979-480-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 486.2 · 486.2±30.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- -1.02 · -1.02±0.10(Predicted)
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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