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N,N-Bis(4-bromophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline - >98.0%, high purity , CAS No.850153-24-1
Basic Description
Synonyms | B4660 | T71389 | SCHEMBL14907355 | N,N-Bis(4-bromophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline | MFCD30721938 | 2-[4-[Bis(4-bromophenyl)amino]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 4-[Bis(4-bromophenyl)amino]phenylboronic Acid |
Specifications & Purity | ≥98% |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 488202468 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202468 |
IUPAC Name | N,N-bis(4-bromophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
INCHI | InChI=1S/C24H24BBr2NO2/c1-23(2)24(3,4)30-25(29-23)17-5-11-20(12-6-17)28(21-13-7-18(26)8-14-21)22-15-9-19(27)10-16-22/h5-16H,1-4H3 |
InChi Key | XVOQIMZHMJQJEC-UHFFFAOYSA-N |
Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br |
Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br |
PubChem CID | 89535548 |
Molecular Weight | 529.08 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C) | 149 °C |
Molecular Weight | 529.100 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 | 4 |
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Exact Mass | 529.025 Da |
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Monoisotopic Mass | 527.027 Da |
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Topological Polar Surface Area | 21.700 Ų |
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Heavy Atom Count | 30 |
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Formal Charge | 0 |
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Complexity | 528.000 |
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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. P321:Specific treatment (see ... on this label). P264:Wash hands [and …] thoroughly after handling. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. |
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