N-Benzyl-2,2,2-trichloroacetanilide
Basic information
- CAS
38488-66-3- Standard SMILES
O=C(N(Cc1ccccc1)c1ccccc1)C(Cl)(Cl)Cl- InChIKey
YXYASEBSOHPGRB-UHFFFAOYSA-N- Molecular formula
- C15H12Cl3NO
- Average molar mass
- 328.6 g/mol
- Monoisotopic mass
- 326.998447
Names & identifiers
- Preferred name
- N-Benzyl-2,2,2-trichloroacetanilide
- IUPAC
- N-benzyl-2,2,2-trichloro-N-phenylacetamide
- English name
- N-Benzyl-2,2,2-trichloroacetanilide
- Molecular formula
- C15H12Cl3NO
- Molecular weight
- 328.62
Names & synonyms
N-BENZYL-2,2,2-TRICHLOROACETANILIDERefChem:829090662-546-1N-benzyl-2,2,2-trichloro-N-phenylacetamide38488-66-3NSC204176DTXSID00308452AKOS024340082NSC-204176Acetamide, 2,2,2-trichloro-N-phenyl-N-(phenylmethyl)-
Database identifiers
- CAS
38488-66-3- PubChem CID
- 306495
- DTXSID
DTXSID00308452- EC Number
- 662-546-1
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 392.7 · 392.7±42.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
- pka
- 0.14 · 0.14±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501
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]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H410
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…