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3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-9-(p-tolyl)-9H-carbazole - 98%, high purity , CAS No.1345614-94-9
Basic Description
| Synonyms | 9-(4-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole | 1345614-94-9 | VDC61494 | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-9-(p-tolyl)-9H-carbazole | T3612 | D92723 | SCHEMBL14902275 | MFCD32062938 |
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| Specifications & Purity | ≥98% |
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Names and Identifiers
| Pubchem Sid | 488202467 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202467 |
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| IUPAC Name | 9-(4-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole |
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| INCHI | InChI=1S/C25H26BNO2/c1-17-10-13-19(14-11-17)27-22-9-7-6-8-20(22)21-16-18(12-15-23(21)27)26-28-24(2,3)25(4,5)29-26/h6-16H,1-5H3 |
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| InChi Key | NNRXASAONFGWFE-UHFFFAOYSA-N |
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| Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=C(C=C5)C |
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| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=C(C=C5)C |
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| PubChem CID | 89531535 |
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| Molecular Weight | 383.30 |
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| Reaxy-Rn | 28515038 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Melt Point(°C) | 166 °C |
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| Molecular Weight | 383.300 g/mol |
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| XLogP3 | |
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| Hydrogen Bond Donor Count | 0 |
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| Hydrogen Bond Acceptor Count | 2 |
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| Rotatable Bond Count | 2 |
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| Exact Mass | 383.206 Da |
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| Monoisotopic Mass | 383.206 Da |
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| Topological Polar Surface Area | 23.400 Ų |
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| Heavy Atom Count | 29 |
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| Formal Charge | 0 |
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| Complexity | 584.000 |
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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 |
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| Signal | Warning |
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| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation |
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| 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. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P264:Wash hands [and …] thoroughly after handling. 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. |
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| Reaxy-Rn | 28515038 |
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