4-(4-(Trifluoromethyl)phenyl)butan-2-one
Basic information
- CAS
57132-19-1- Standard SMILES
CC(=O)CCc1ccc(C(F)(F)F)cc1- InChIKey
YWQOPLJHSOZSAT-UHFFFAOYSA-N- Molecular formula
- C11H11F3O
- Average molar mass
- 216.2 g/mol
- Monoisotopic mass
- 216.07619946
Names & identifiers
- Preferred name
- 4-(4-(Trifluoromethyl)phenyl)butan-2-one
- IUPAC
- 4-[4-(trifluoromethyl)phenyl]butan-2-one
- English name
- 2-Butanone, 4-[4-(trifluoroMethyl)phenyl]-
- Molecular formula
- C11H11F3O
- Molecular weight
- 216.1996496
Names & synonyms
57132-19-14-[4-(trifluoromethyl)phenyl]butan-2-one4-(4-(Trifluoromethyl)phenyl)butan-2-oneDTXSID20411492RefChem:287820DTXCID70362344969-603-22-Butanone, 4-[4-(trifluoromethyl)phenyl]-MFCD001564054-[4-(Trifluoromethyl)phenyl]-2-butanoneSCHEMBL266389YWQOPLJHSOZSAT-UHFFFAOYSA-N
Show more names
HCA13219AKOS0109596094-(4-Trifluoromethyl-phenyl)butan-2-oneBS-45896SY182982CS-0256990EN300-65781E74739
Database identifiers
- CAS
57132-19-1- PubChem CID
- 5226853
- DTXSID
DTXSID20411492- EC Number
- 969-603-2
- Nikkaji
- J1.675.171E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses4-[4-(trifluoromethyl)phenyl]butan-2-one (cas# 57132-19-1) is used in the study for syntheses and behavioral evaluations of fluorinated and silylated analogs of raspberry ketone as attractants for melon fly.
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Related reactions
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Compound notes
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