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4-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine - 97%, high purity , CAS No.944401-71-2
Basic Description
Synonyms | 4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Pyridinamine | 2-Amino-4-fluoro pyridine-5-boronic acid pinacol ester | MFCD12923415 | BS-42991 | A1-18752 | DTXSID901151499 | 4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yla |
Specifications & Purity | ≥97% |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | 4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
INCHI | InChI=1S/C11H16BFN2O2/c1-10(2)11(3,4)17-12(16-10)7-6-15-9(14)5-8(7)13/h5-6H,1-4H3,(H2,14,15) |
InChi Key | VRAOZHCCDMWQFX-UHFFFAOYSA-N |
Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2F)N |
Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2F)N |
Alternate CAS | 944401-71-2 |
PubChem CID | 59251805 |
Molecular Weight | 238.07 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 238.070 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 1 |
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Hydrogen Bond Acceptor Count | 5 |
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Rotatable Bond Count | 1 |
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Exact Mass | 238.129 Da |
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Monoisotopic Mass | 238.129 Da |
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Topological Polar Surface Area | 57.400 Ų |
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Heavy Atom Count | 17 |
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Formal Charge | 0 |
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Complexity | 285.000 |
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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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