4-Methoxy-3-[(pentafluorophenoxy)methyl]benzaldehyde
Basic information
- CAS
329222-68-6- Standard SMILES
COc1ccc(C=O)cc1COc1c(F)c(F)c(F)c(F)c1F- InChIKey
CKMVTIRWAOEGMF-UHFFFAOYSA-N- Molecular formula
- C15H9F5O3
- Average molar mass
- 332.22 g/mol
- Monoisotopic mass
- 332.04718496
Names & identifiers
- Preferred name
- 4-Methoxy-3-[(pentafluorophenoxy)methyl]benzaldehyde
- IUPAC
- 4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]benzaldehyde
- English name
- 4-Methoxy-3-[(pentafluorophenoxy)methyl]benzaldehyde
- Molecular formula
- C15H9F5O3
- Molecular weight
- 332.22
Names & synonyms
329222-68-64-methoxy-3-[(pentafluorophenoxy)methyl]benzaldehyde4-Methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]benzaldehyde4-Methoxy-3-((perfluorophenoxy)methyl)benzaldehyde4-methoxy-3-[(pentafluorophenoxy)methyl]-benzaldehydeMFCD01114961C15H9F5O34-Methoxy-3-pentafluorophenyloxymethyl-benzaldehydeCKMVTIRWAOEGMF-UHFFFAOYSA-NALBB-001086BBL016110SBB001358
Show more names
4-METHOXY-3-(2,3,4,5,6-PENTAFLUORO-PHENOXYMETHYL)-BENZALDEHYDEBenzaldehyde, 4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]-
STK348670AKOS000304064ST005510VS-05144CS-0302252EN300-227638H212394-methoxy-3-pentafluorophenyloxymethylbenzaldehyde
Database identifiers
- CAS
329222-68-6- PubChem CID
- 590883
- EC Number
- 118-935-9
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 386.5 · 386.5±42.0 °C(Predicted)
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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