2-Methyl-5-(trifluoromethoxy)anisole
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Basic information
- CAS
1261444-86-3- Standard SMILES
COc1cc(OC(F)(F)F)ccc1C- InChIKey
XYFKOVVUHAFOSZ-UHFFFAOYSA-N- Molecular formula
- C9H9F3O2
- Average molar mass
- 206.16 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-5-(trifluoromethoxy)anisole
- IUPAC
- 2-methoxy-1-methyl-4-(trifluoromethoxy)benzene
- English name
- 2-Methyl-5-(trifluoroMethoxy)anisole, 97%
- Molecular formula
- C9H9F3O2
- Molecular weight
- 206.16
Names & synonyms
2-Methyl-5-(trifluoromethoxy)anisole1261444-86-32-methoxy-1-methyl-4-(trifluoromethoxy)benzeneMFCD18399698SCHEMBL3027958SCHEMBL12180463XYFKOVVUHAFOSZ-UHFFFAOYSA-NAKOS026670900JS-5090CS-03246362-Methyl-5-(trifluoroMethoxy)anisole, 97%Benzene, 2-methoxy-1-methyl-4-(trifluoromethoxy)-
Database identifiers
- CAS
1261444-86-3
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 183.9 · 183.9±35.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
- HS Code
- 2909309090 · 2909309090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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