N-Benzyl-2-chloro-2-phenylacetamide
Basic information
- CAS
27946-19-6- Standard SMILES
O=C(NCc1ccccc1)C(Cl)c1ccccc1- InChIKey
PPKWFXHUJIGMNJ-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO
- Average molar mass
- 259.73 g/mol
- Monoisotopic mass
- 259.0763918
Names & identifiers
- Preferred name
- N-Benzyl-2-chloro-2-phenylacetamide
- IUPAC
- N-benzyl-2-chloro-2-phenylacetamide
- English name
- alpha-chloro-n-(phenylmethyl)-benzeneacetamid
- Molecular formula
- C15H14ClNO
- Molecular weight
- 259.73
Names & synonyms
N-Benzyl-2-chloro-2-phenylacetamideRefChem:829118964-654-727946-19-6alpha-chloro-n-(phenylmethyl)-benzeneacetamidCCRIS 1830BRN 2379577Acetamide, N-benzyl-2-chloro-2-phenyl-Benzeneacetamide, alpha-chloro-N-(phenylmethyl)-4-12-00-02242 (Beilstein Handbook Reference)SCHEMBL30175033DTXSID60950633
Show more names
n-benzyl-2-chloro-2-phenyl-acetamidBenzeneacetamide, α-chloro-N-(phenylmethyl)-
CBA946192-chloro-2-phenyl-N-benzylacetamideAKOS000118304AKOS016882440N-Benzyl(chloro)(phenyl)ethanimidic acidN-Benzyl-2-chloro-2-phenylethanimidic acidST51024189EN300-14956
Database identifiers
- CAS
27946-19-6- PubChem CID
- 147187
- DTXSID
DTXSID60950633- EC Number
- 964-654-7
- Nikkaji
- J496.250H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 96 · 96-97 °C
- Boiling point
- 458.6 · 458.6±45.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- pka
- 13.93 · 13.93±0.46(Predicted)
- EWG's Food Scores
- 1 · 1
- 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, 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…