2-phenyl-N-[2,2,2-trichloro-1-(4-nitroanilino)ethyl]acetamide
Basic information
- CAS
301816-67-1- Standard SMILES
O=C(Cc1ccccc1)NC(Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl- InChIKey
OJYCRKQVGIMMPV-UHFFFAOYSA-N- Molecular formula
- C16H14Cl3N3O3
- Average molar mass
- 402.7 g/mol
- Monoisotopic mass
- 401.010074
Names & identifiers
- Preferred name
- 2-phenyl-N-[2,2,2-trichloro-1-(4-nitroanilino)ethyl]acetamide
- IUPAC
- 2-phenyl-N-[2,2,2-trichloro-1-(4-nitroanilino)ethyl]acetamide
- English name
- 2-phenyl-N-(2,2,2-trichloro-1-{4-nitroanilino}ethyl)acetamide
- Molecular formula
- C16H14Cl3N3O3
- Molecular weight
- 402.66
Names & synonyms
301816-67-12-phenyl-N-[2,2,2-trichloro-1-(4-nitroanilino)ethyl]acetamideTCMDC-1257892-phenyl-N-{2,2,2-trichloro-1-[(4-nitrophenyl)amino]ethyl}acetamide2-phenyl-N-(2,2,2-trichloro-1-((4-nitrophenyl)amino)ethyl)acetamideF0095-09242-phenyl-N-(2,2,2-trichloro-1-{4-nitroanilino}ethyl)acetamide2-PHENYL-N-(2,2,2-TRICHLORO-1-(4-NITROANILINO)ETHYL)ACETAMIDECHEMBL533475SMSSF-0060148STK808827AKOS002160593
Show more names
Benzeneacetamide, N-[2,2,2-trichloro-1-[(4-nitrophenyl)amino]ethyl]-
AKOS016288779AG-690/12763312AG-690/33363008N-[2,2,2-trichloro-1-(p-nitrophenylamino)ethyl]phenylacetamide
Database identifiers
- CAS
301816-67-1- PubChem CID
- 4249750
- ChEMBL
CHEMBL533475- EC Number
- 169-285-8
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Boiling point
- 619.3 · 619.3±55.0 °C(Predicted)
- Density
- 1.483 · 1.483±0.06 g/cm3(Predicted)
- pka
- 13.47 · 13.47±0.46(Predicted)
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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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