1-(Methoxymethyl)-3,5-bis(trifluoromethyl)benzene
Basic information
- CAS
887577-31-3- Standard SMILES
COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
PICIQTNSSCWVST-UHFFFAOYSA-N- Molecular formula
- C10H8F6O
- Average molar mass
- 258.16 g/mol
- Monoisotopic mass
- 258.04793385
Names & identifiers
- Preferred name
- 1-(Methoxymethyl)-3,5-bis(trifluoromethyl)benzene
- IUPAC
- 1-(methoxymethyl)-3,5-bis(trifluoromethyl)benzene
- English name
- 1-(Methoxymethyl)-3,5-bis(trifluoromethyl)benzene
- Molecular formula
- C10H8F6O
- Molecular weight
- 258.16
Names & synonyms
1-(methoxymethyl)-3,5-bis(trifluoromethyl)benzene887577-31-3MFCD32632125SCHEMBL280585FLXFJBBGNBBNCM-UHFFFAOYSA-NPICIQTNSSCWVST-UHFFFAOYSA-NDTXSID601230987CID 23214919CS-0192316E95536Benzene, 1-(methoxymethyl)-3,5-bis(trifluoromethyl)-
Database identifiers
- CAS
887577-31-3- PubChem CID
- 23214919
- DTXSID
DTXSID601230987
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 152.2 · 152.2±35.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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