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5-(Trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine - 95%, high purity , CAS No.1228666-22-5
Basic Description
| Synonyms | MFCD15530312 | tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane | 1228666-22-5 | DTXSID90673641 | 5-(Trifluoromethyl)-1-[tri(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine | BS-42615 | 5-(Trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrro |
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| Specifications & Purity | ≥95% |
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| Storage Temp | Room temperature |
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| Shipped In | Normal |
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Names and Identifiers
| IUPAC Name | tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane |
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| INCHI | InChI=1S/C17H25F3N2Si/c1-11(2)23(12(3)4,13(5)6)22-8-7-14-9-15(17(18,19)20)10-21-16(14)22/h7-13H,1-6H3 |
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| InChi Key | GESOHXDEZSURSM-UHFFFAOYSA-N |
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| Canonical SMILES | CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=CC(=CN=C21)C(F)(F)F |
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| Isomeric SMILES | CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=CC(=CN=C21)C(F)(F)F |
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| WGK Germany | 3 |
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| PubChem CID | 46318196 |
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| Molecular Weight | 342.47 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 342.500 g/mol |
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| XLogP3 | |
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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 | 4 |
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| Exact Mass | 342.174 Da |
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| Monoisotopic Mass | 342.174 Da |
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| Topological Polar Surface Area | 17.800 Ų |
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| Heavy Atom Count | 23 |
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| Formal Charge | 0 |
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| Complexity | 387.000 |
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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)
| Signal | Danger |
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| Hazard Statements | H301:Toxic if swallowed |
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| Precautionary Statements | P301+P310:IF SWALLOWED: Immediately call a POISON CENTER/doctor/... |
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| WGK Germany | 3 |
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