2-Fluoro-4-methyl-3-(trifluoromethyl)benzaldehyde
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Basic information
- CAS
1824270-96-3- Standard SMILES
Cc1ccc(C=O)c(F)c1C(F)(F)F- InChIKey
HNDVWWSHFNWJOM-UHFFFAOYSA-N- Molecular formula
- C9H6F4O
- Average molar mass
- 206.14 g/mol
- Monoisotopic mass
- 206.03547746
Names & identifiers
- Preferred name
- 2-Fluoro-4-methyl-3-(trifluoromethyl)benzaldehyde
- IUPAC
- 2-fluoro-4-methyl-3-(trifluoromethyl)benzaldehyde
- English name
- 2-Fluoro-4-methyl-3-(trifluoromethyl)benzaldehyde
- Molecular formula
- C9H6F4O
- Molecular weight
- 206.14
Names & synonyms
2-Fluoro-4-methyl-3-(trifluoromethyl)benzaldehyde1824270-96-3MFCD28103358SCHEMBL17842710HNDVWWSHFNWJOM-UHFFFAOYSA-NAKOS037653626JS-5215Benzaldehyde, 2-fluoro-4-methyl-3-(trifluoromethyl)-
Database identifiers
- CAS
1824270-96-3- PubChem CID
- 98041725
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 207.9 · 207.9±35.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261
- HS Code
- 2913000090 · 2913000090
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
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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