1-(4-(Trifluoromethyl)phenyl)butane-1,3-dione
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Basic information
- CAS
258346-69-9- Standard SMILES
CC(=O)CC(=O)c1ccc(C(F)(F)F)cc1- InChIKey
DLIOGFQTFUVFFB-UHFFFAOYSA-N- Molecular formula
- C11H9F3O2
- Average molar mass
- 230.18 g/mol
- Monoisotopic mass
- 230.05546419
Names & identifiers
- Preferred name
- 1-(4-(Trifluoromethyl)phenyl)butane-1,3-dione
- IUPAC
- 1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
- English name
- 1-(4-Trifluoromethylphenyl)butane-1,3-dione
- Molecular formula
- C11H9F3O2
- Molecular weight
- 230.18
Names & synonyms
258346-69-91-(4-(trifluoromethyl)phenyl)butane-1,3-dione1-(4-Trifluoromethylphenyl)butane-1,3-dione1-[4-(trifluoromethyl)phenyl]butane-1,3-dione1-[4-(Trifluoromethyl)phenyl]-1,3-butanedioneMFCD077729411,3-Butanedione,1-[4-(trifluoromethyl)phenyl]-1,3-Butanedione, 1-[4-(trifluoromethyl)phenyl]-SCHEMBL3569892DTXSID50586349AKOS005064551AB92075
Show more names
BS-16326CS-01619261-(4-trifluoromethylphenyl)-1,3-butanedioneD83351EN300-1776291-(4-trifluoromethyl-phenyl)-butane-1,3-dioneF546205Z359504756
Database identifiers
- CAS
258346-69-9- PubChem CID
- 16640910
- DTXSID
DTXSID50586349- Nikkaji
- J2.953.873E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Suppliers
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Related reactions
13 records
Compound notes
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