Basic information
- CAS
103108-04-9- Standard SMILES
CC(C=O)c1ccc(C(F)(F)F)cc1- InChIKey
DSSWFPLIMLGSAD-UHFFFAOYSA-N- Molecular formula
- C10H9F3O
- Average molar mass
- 202.17 g/mol
- Monoisotopic mass
- 202.06054939
Names & identifiers
- Preferred name
- 2-(4-(Trifluoromethyl)phenyl)propanal
- IUPAC
- 2-[4-(trifluoromethyl)phenyl]propanal
Names & synonyms
2-[4-(trifluoromethyl)phenyl]propanal103108-04-92-(4-(Trifluoromethyl)phenyl)propanalRefChem:456614868-761-9SCHEMBL2702140SCHEMBL6141346DEA10804AKOS015156077(4-trifluoromethylphenyl)propionaldehydeCS-0239054EN300-204835
Show more names
G23378Z1268606375
Database identifiers
- CAS
103108-04-9- PubChem CID
- 13510285
- EC Number
- 868-761-9
- Nikkaji
- J2.587.674A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
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]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
1 records
Compound notes
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