Basic information
- CAS
350-54-9- Standard SMILES
Cc1cccc(OC(F)(F)C(F)Cl)c1- InChIKey
IUFHPFGLGWPGIY-UHFFFAOYSA-N- Molecular formula
- C9H8ClF3O
- Average molar mass
- 224.61 g/mol
- Monoisotopic mass
- 224.0215771
Names & identifiers
- Preferred name
- Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole
- IUPAC
- 1-(2-chloro-1,1,2-trifluoroethoxy)-3-methylbenzene
Names & synonyms
BETA-CHLORO-3-METHYL-ALPHA,ALPHA,BETA-TRIFLUOROPHENETOLERefChem:567272654-884-3350-54-91-(2-chloro-1,1,2-trifluoroethoxy)-3-methylbenzeneNSC166345DTXSID80304578AKOS024332607NSC-166345
Database identifiers
- CAS
350-54-9- PubChem CID
- 296304
- DTXSID
DTXSID80304578- EC Number
- 654-884-3
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…