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3-Hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid - ≥97%, high purity , CAS No.217959-85-8
Basic Description
Specifications & Purity | ≥97% |
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Names and Identifiers
IUPAC Name | 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid |
INCHI | InChI=1S/C6H3F3O3S/c7-6(8,9)3-1-2(10)4(13-3)5(11)12/h1,10H,(H,11,12) |
InChi Key | VPXDRKKLIQLLJO-UHFFFAOYSA-N |
Canonical SMILES | C1=C(SC(=C1O)C(=O)O)C(F)(F)F |
Isomeric SMILES | C1=C(SC(=C1O)C(=O)O)C(F)(F)F |
PubChem CID | 2759348 |
Molecular Weight | 212.15 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 212.150 g/mol |
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XLogP3 | 2.600 |
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Hydrogen Bond Donor Count | 2 |
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Hydrogen Bond Acceptor Count | 7 |
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Rotatable Bond Count | 1 |
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Exact Mass | 211.975 Da |
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Monoisotopic Mass | 211.975 Da |
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Topological Polar Surface Area | 85.800 Ų |
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Heavy Atom Count | 13 |
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Formal Charge | 0 |
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Complexity | 218.000 |
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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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