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- Boronic Acids and Derivatives
- 1-(tert-Butoxycarbonyl)-1,2,5,6-tetrahydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine - 97%, high purity , CAS No.885693-20-9
1-(tert-Butoxycarbonyl)-1,2,5,6-tetrahydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine - 97%, high purity , CAS No.885693-20-9
Basic Description
Synonyms | TERT-BUTYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE | Z1508686554 | KEEIJBAOTMNSEN-UHFFFAOYSA-N | SY008465 | Amidon | 2-Methyl-2-propanyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-1(2H)-pyridi |
Specifications & Purity | ≥97% |
Storage Temp | Room temperature |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 488201437 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488201437 |
IUPAC Name | tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate |
INCHI | InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h9H,8,10-11H2,1-7H3 |
InChi Key | KEEIJBAOTMNSEN-UHFFFAOYSA-N |
Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CCCN(C2)C(=O)OC(C)(C)C |
Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CCCN(C2)C(=O)OC(C)(C)C |
PubChem CID | 49835909 |
Molecular Weight | 309.21 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C) | 105 °C |
Molecular Weight | 309.200 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 3 |
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Exact Mass | 309.211 Da |
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Monoisotopic Mass | 309.211 Da |
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Topological Polar Surface Area | 48.000 Ų |
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Heavy Atom Count | 22 |
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Formal Charge | 0 |
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Complexity | 463.000 |
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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 H335:May cause respiratory irritation H302:Harmful if swallowed H332:Harmful if inhaled |
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. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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