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4-Bromo-8-trifluoromethylquinoline - 95%, high purity , CAS No.260973-10-2
Basic Description
Synonyms | 4-Bromo-8-(trifluoromethyl)quinoline | 260973-10-2 | 4-BROMO-8-TRIFLUOROMETHYLQUINOLINE | MFCD08063211 | Quinoline, 4-bromo-8-(trifluoromethyl)- | SCHEMBL485347 | DTXSID40611896 | 4-Bromo-8-trifluoromethyl quinoline | AKOS022175374 | SB71475 | 8-hydroxy-1,2,3,4-Tetrahydro-qu |
Specifications & Purity | ≥95% |
Storage Temp | Room temperature |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 504768983 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768983 |
IUPAC Name | 4-bromo-8-(trifluoromethyl)quinoline |
INCHI | InChI=1S/C10H5BrF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H |
InChi Key | ZLLWNTMVQORUCR-UHFFFAOYSA-N |
Canonical SMILES | C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)Br |
Isomeric SMILES | C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)Br |
WGK Germany | 3 |
PubChem CID | 21277369 |
Molecular Weight | 276.05 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 276.050 g/mol |
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XLogP3 | 3.200 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 0 |
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Exact Mass | 274.956 Da |
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Monoisotopic Mass | 274.956 Da |
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Topological Polar Surface Area | 12.900 Ų |
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Heavy Atom Count | 15 |
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Formal Charge | 0 |
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Complexity | 231.000 |
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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) | GHS06, GHS07 |
Signal | Danger |
Hazard Statements | H319:Causes serious eye irritation H301:Toxic if swallowed |
Precautionary Statements | 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. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P316:IF SWALLOWED: Get emergency medical help immediately. P337+P317:If eye irritation persists: Get medical help. |
WGK Germany | 3 |
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