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5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1,3-dione - >98%, high purity , CAS No.849677-21-0
Basic Description
| Synonyms | 849677-21-0 | PHTHALIC ANHYDRIDE-4-BORONIC ACID PINACOL ESTER | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-benzofuran-1,3-dione | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1,3-dione | 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2 |
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| Specifications & Purity | ≥98% |
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Names and Identifiers
| IUPAC Name | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-benzofuran-1,3-dione |
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| INCHI | InChI=1S/C14H15BO5/c1-13(2)14(3,4)20-15(19-13)8-5-6-9-10(7-8)12(17)18-11(9)16/h5-7H,1-4H3 |
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| InChi Key | BFZHKYHKEHKTDP-UHFFFAOYSA-N |
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| Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)OC3=O |
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| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)OC3=O |
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| PubChem CID | 46739761 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Refractive Index | n20D1.54 (Predicted) |
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| Boil Point(°C) | ~427.8° C at 760 mmHg (Predicted) |
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| Molecular Weight | 274.080 g/mol |
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| XLogP3 | |
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| Hydrogen Bond Donor Count | 0 |
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| Hydrogen Bond Acceptor Count | 5 |
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| Rotatable Bond Count | 1 |
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| Exact Mass | 274.101 Da |
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| Monoisotopic Mass | 274.101 Da |
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| Topological Polar Surface Area | 61.800 Ų |
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| Heavy Atom Count | 20 |
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| Formal Charge | 0 |
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| Complexity | 442.000 |
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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 | Warning |
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| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed |
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| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. 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. P301+P312:IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell. |
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