Basic information
- CAS
33560-57-5- Standard SMILES
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(Cl)(Cl)Cl- InChIKey
KTEQMHWNTSFTSS-UHFFFAOYSA-N- Molecular formula
- C8H3Cl6NO
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 338.83458
Names & identifiers
- Preferred name
- 2,2,2,2',4',5'-Hexachloroacetanilide
- IUPAC
- 2,2,2-trichloro-N-(2,4,5-trichlorophenyl)acetamide
- English name
- 2,2,2,2',4',5'-Hexachloroacetanilide
- Molecular formula
- C8H3Cl6NO
- Molecular weight
- 341.83
Names & synonyms
33560-57-52,2,2,2',4',5'-hexachloroacetanilideRefChem:440373666-138-42,2,2-trichloro-N-(2,4,5-trichlorophenyl)acetamideN1-(2,4,5-trichlorophenyl)-2,2,2-trichloroacetamideCyto7C5Maybridge1_006021HMS558J15CCG-1456AKOS003801548Acetanilide, 2,2,2,2',4',5'-hexachloro-
Show more names
Acetamide, 2,2,2-trichloro-N-(2,4,5-trichlorophenyl)-
Alpha,alpha,alpha,2,4,5-hexachloroacetanilide
Database identifiers
- CAS
33560-57-5- PubChem CID
- 520644
- EC Number
- 666-138-4
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 396.2 · 396.2±42.0 °C(Predicted)
- Density
- 1.775 · 1.775±0.06 g/cm3(Predicted)
- pka
- 8.07 · 8.07±0.70(Predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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