Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole
Basic information
- CAS
349-07-5- Standard SMILES
Cc1ccccc1OC(F)(F)C(F)Cl- InChIKey
IWJVUBUSVZHVJT-UHFFFAOYSA-N- Molecular formula
- C9H8ClF3O
- Average molar mass
- 224.61 g/mol
- Monoisotopic mass
- 224.0215771
Names & identifiers
- Preferred name
- Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole
- IUPAC
- 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylbenzene
- English name
- beta-Chloro-2-methyl-alpha,alpha,beta-trifluorophenetole
- Molecular formula
- C9H8ClF3O
- Molecular weight
- 224.61
Names & synonyms
BETA-CHLORO-2-METHYL-ALPHA,ALPHA,BETA-TRIFLUOROPHENETOLERefChem:567271654-335-81-(2-chloro-1,1,2-trifluoroethoxy)-2-methylbenzene349-07-5NSC166344SCHEMBL9807512DTXSID20304577IWJVUBUSVZHVJT-UHFFFAOYSA-NAKOS024332606NSC-166344Benzene, 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methyl-
Database identifiers
- CAS
349-07-5- PubChem CID
- 296303
- DTXSID
DTXSID20304577- EC Number
- 654-335-8
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
Physicochemical properties
- Boiling point
- 61 · 61.0-61.5 °C(Press: 4 Torr)
- Density
- 1.2951 g/cm3 · 1.2951 g/cm3(Temp: 25 °C)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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