6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide
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Basic information
- CAS
4456-59-1- Standard SMILES
CCCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl- InChIKey
DCCPZTFQVSVVJP-UHFFFAOYSA-N- Molecular formula
- C15H19ClF3NO
- Average molar mass
- 321.76 g/mol
- Monoisotopic mass
- 321.1107264
Names & identifiers
- Preferred name
- 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide
- IUPAC
- N-[2-chloro-5-(trifluoromethyl)phenyl]octanamide
- English name
- N-[2-chloro-5-(trifluoromethyl)phenyl]octanamide
- Molecular formula
- C15H19ClF3NO
- Molecular weight
- 321.77
Names & synonyms
6'-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-M-OCTANOTOLUIDIDERefChem:538372667-862-3N-[2-chloro-5-(trifluoromethyl)phenyl]octanamide4456-59-1NSC164247SCHEMBL19638032SCHEMBL30977686DTXSID60304112DCCPZTFQVSVVJP-UHFFFAOYSA-NAKOS003791758NSC-164247
Show more names
Octanamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
4456-59-1- PubChem CID
- 295091
- DTXSID
DTXSID60304112- EC Number
- 667-862-3
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · 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, 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
- Hazard statements
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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