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4'-Fluoro-2'-(trifluoromethyl)acetophenone - 97%, high purity , CAS No.208173-21-1
Basic Description
Synonyms | 208173-21-1 | 4'-Fluoro-2'-(trifluoromethyl)acetophenone | 1-(4-Fluoro-2-(trifluoromethyl)phenyl)ethanone | 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone | 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethan-1-one | Ethanone, 1-[4-fluoro-2-(trifluoromethyl)phenyl]- | MFCD00 |
Specifications & Purity | ≥97% |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 504761381 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761381 |
IUPAC Name | 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone |
INCHI | InChI=1S/C9H6F4O/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-4H,1H3 |
InChi Key | WBCCAINPZLAKRN-UHFFFAOYSA-N |
Canonical SMILES | CC(=O)C1=C(C=C(C=C1)F)C(F)(F)F |
Isomeric SMILES | CC(=O)C1=C(C=C(C=C1)F)C(F)(F)F |
PubChem CID | 2737535 |
Molecular Weight | 206.14 |
Beilstein | 7637196 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index | 1.449 |
Molecular Weight | 206.140 g/mol |
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XLogP3 | 2.600 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 5 |
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Rotatable Bond Count | 1 |
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Exact Mass | 206.035 Da |
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Monoisotopic Mass | 206.035 Da |
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Topological Polar Surface Area | 17.100 Ų |
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Heavy Atom Count | 14 |
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Formal Charge | 0 |
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Complexity | 223.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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