1,1,1-Trifluoro-3-(2-thienyl)acetone
Basic information
- CAS
14529-33-0- Standard SMILES
O=C(Cc1cccs1)C(F)(F)F- InChIKey
NBKNXYCQJHKJEU-UHFFFAOYSA-N- Molecular formula
- C7H5F3OS
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.00132044
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-3-(2-thienyl)acetone
- IUPAC
- 1,1,1-trifluoro-3-thiophen-2-ylpropan-2-one
- English name
- 1,1,1-trifluoro-3-(2-thienyl)acetone
- Molecular formula
- C7H5F3OS
- Molecular weight
- 194.17
Names & synonyms
1,1,1-Trifluoro-3-(2-thienyl)acetone1,1,1-Trifluoro-3-(2-thienyl)-2-propanone1,1,1-TRIFLUORO-3-(THIOPHEN-2-YL)PROPAN-2-ONE1,1,1-trifluoro-3-thiophen-2-ylpropan-2-one4KUD7RM4WFEINECS 238-552-12-Propanone, 1,1,1-trifluoro-3-(2-thienyl)-DTXSID50162965RefChem:70858DTXCID0085456238-552-114529-33-0
Show more names
1-(2-Thienyl)-3,3,3-trifluoroacetone1,1,1-Trifluoro-3-(2-thienyl)propane-2-one
MFCD12827291ThienyltrifluoroacetoneUNII-4KUD7RM4WFSCHEMBL6253571AC4318AKOS0102865811,1,1-Trifluoro-3-thiophenylpropan-2-oneCS-0308630
Database identifiers
- CAS
14529-33-0- PubChem CID
- 84498
- DTXSID
DTXSID50162965- UNII
- 4KUD7RM4WF
- EC Number
- 238-552-1
- Nikkaji
- J241.288H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- FDA UNII
- 4 KUD7RM4WF · 4KUD7RM4WF
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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