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4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine - 98%, high purity , CAS No.1009033-87-7
Basic Description
Synonyms | SY038098 | 4-(Pyridin-4-yl)phenylboronic acid, pinacol ester | T3400 | 4-(4-Pyridyl)phenylboric Acid Pinacol Ester | 4,4,5,5-Tetramethyl-2-[4-(4-pyridyl)phenyl]-1,3,2-dioxaborolane | CS-W000851 | DTXSID30729358 | 1009033-87-7 | MFCD12828171 | 4-[4-(4,4,5, |
Specifications & Purity | ≥98% |
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Names and Identifiers
Pubchem Sid | 488201931 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488201931 |
IUPAC Name | 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine |
INCHI | InChI=1S/C17H20BNO2/c1-16(2)17(3,4)21-18(20-16)15-7-5-13(6-8-15)14-9-11-19-12-10-14/h5-12H,1-4H3 |
InChi Key | PTNMCYWJKRZCDE-UHFFFAOYSA-N |
Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC=NC=C3 |
Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC=NC=C3 |
PubChem CID | 58526497 |
Molecular Weight | 281.16 |
Reaxy-Rn | 18873102 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C) | 112 °C |
Molecular Weight | 281.200 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 2 |
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Exact Mass | 281.159 Da |
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Monoisotopic Mass | 281.159 Da |
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Topological Polar Surface Area | 31.400 Ų |
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Heavy Atom Count | 21 |
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Formal Charge | 0 |
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Complexity | 342.000 |
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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 |
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. P264:Wash hands [and …] thoroughly after handling. P362:Take off contaminated clothing. P337+P313:IF eye irritation persists: Get medical advice/attention. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. |
Reaxy-Rn | 18873102 |
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