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3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]pyridine - 97%, high purity , CAS No.1286202-05-8
Basic Description
Synonyms | 1-(3-Pyridyl)pyrazole-4-boronic Acid Pinacol Ester | CS-0055642 | DMXSOTHMZWWOPT-UHFFFAOYSA-N | 3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-pyridine | 3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]pyridine | 3-(4-(4 |
Specifications & Purity | ≥97% |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine |
INCHI | InChI=1S/C14H18BN3O2/c1-13(2)14(3,4)20-15(19-13)11-8-17-18(10-11)12-6-5-7-16-9-12/h5-10H,1-4H3 |
InChi Key | DMXSOTHMZWWOPT-UHFFFAOYSA-N |
Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3=CN=CC=C3 |
Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3=CN=CC=C3 |
Alternate CAS | 1286202-05-8 |
PubChem CID | 57416218 |
Molecular Weight | 271.13 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 271.120 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 | 2 |
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Exact Mass | 271.149 Da |
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Monoisotopic Mass | 271.149 Da |
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Topological Polar Surface Area | 49.200 Ų |
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Heavy Atom Count | 20 |
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Formal Charge | 0 |
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Complexity | 348.000 |
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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 H302:Harmful if swallowed |
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). P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P362:Take off contaminated clothing. P270:Do not eat, drink or smoke when using this product. P337+P313:IF eye irritation persists: Get medical advice/attention. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P330:Rinse mouth. P301+P312:IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell. |
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