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4-tert-Butylphenylboronic Acid (contains varying amounts of Anhydride) - 97%, high purity , CAS No.123324-71-0
Basic Description
Synonyms | 4-t-butylphenyl boronic acid | 4-t-butyl-phenyl boronic acid | EN300-49217 | SY001215 | 4-(tert butyl)-phenyl boronic acid | 4-tert-Butylbenzeneboronic Acid | 4-tert-butyl-benzeneboronic acid | Boronic acid, B-[4-(1,1-dimethylethyl)phenyl]- | FT-0619493 | |
Specifications & Purity | ≥97% |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 488192534 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488192534 |
IUPAC Name | (4-tert-butylphenyl)boronic acid |
INCHI | InChI=1S/C10H15BO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7,12-13H,1-3H3 |
InChi Key | MNJYZNVROSZZQC-UHFFFAOYSA-N |
Canonical SMILES | B(C1=CC=C(C=C1)C(C)(C)C)(O)O |
Isomeric SMILES | B(C1=CC=C(C=C1)C(C)(C)C)(O)O |
WGK Germany | 3 |
PubChem CID | 2734320 |
Molecular Weight | 178.04 |
Reaxy-Rn | 5330959 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility | Soluble in Methanol |
Melt Point(°C) | 191-196°C |
Molecular Weight | 178.040 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 2 |
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Hydrogen Bond Acceptor Count | 2 |
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Rotatable Bond Count | 2 |
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Exact Mass | 178.117 Da |
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Monoisotopic Mass | 178.117 Da |
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Topological Polar Surface Area | 40.500 Ų |
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Heavy Atom Count | 13 |
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Formal Charge | 0 |
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Complexity | 155.000 |
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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 |
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. 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. |
WGK Germany | 3 |
Reaxy-Rn | 5330959 |
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