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5,6-difluoro-2-methyl-1,2,3,4-tetrahydroquinoline - 97%, high purity , CAS No.80076-46-6
Basic Description
| Synonyms | E82730 | SY321221 | 5,6-Difluoro-1,2,3,4-tetrahydro-2-methylquinoline | 5,6-difluoro-2-methyl-1,2,3,4-tetrahydroquinoline | PB47941 | CS-0369579 | SCHEMBL9598979 | DTXSID70444659 | FT-0750590 | AS-83319 | MFCD20681385 |
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| Specifications & Purity | ≥97% |
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| Shipped In | Normal |
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Names and Identifiers
| IUPAC Name | 5,6-difluoro-2-methyl-1,2,3,4-tetrahydroquinoline |
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| INCHI | InChI=1S/C10H11F2N/c1-6-2-3-7-9(13-6)5-4-8(11)10(7)12/h4-6,13H,2-3H2,1H3 |
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| InChi Key | CEKODOXMQSFDIZ-UHFFFAOYSA-N |
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| Canonical SMILES | CC1CCC2=C(N1)C=CC(=C2F)F |
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| Isomeric SMILES | CC1CCC2=C(N1)C=CC(=C2F)F |
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| Alternate CAS | 80076-46-6 |
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| PubChem CID | 10773805 |
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| Molecular Weight | 183.2 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 183.200 g/mol |
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| XLogP3 | 2.900 |
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| Hydrogen Bond Donor Count | 1 |
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| Hydrogen Bond Acceptor Count | 3 |
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| Rotatable Bond Count | 0 |
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| Exact Mass | 183.086 Da |
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| Monoisotopic Mass | 183.086 Da |
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| Topological Polar Surface Area | 12.000 Ų |
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| Heavy Atom Count | 13 |
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| Formal Charge | 0 |
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| Complexity | 186.000 |
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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 | 1 |
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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 |
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| Signal | Warning |
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| Hazard Statements | H302:Harmful if swallowed |
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| Precautionary Statements | 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. P301+P312:IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell. |
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