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5-Chloro-2-fluoro-4-methylphenylboronic acid - >98%, high purity , CAS No.1072952-42-1
Basic Description
| Synonyms | 1072952-42-1 | 5-Chloro-2-fluoro-4-methylphenylboronic acid | (5-chloro-2-fluoro-4-methylphenyl)boronic acid | 5-Chloro-2-fluoro-4-methylbenzeneboronic acid | SCHEMBL13299606 | DTXSID00660269 | TQP0214 | ZNHMLMCKIJDZKL-UHFFFAOYSA-N | MFCD07368241 | AKOS006344223 | AB31977 | BS |
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| Specifications & Purity | ≥98% |
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Names and Identifiers
| IUPAC Name | (5-chloro-2-fluoro-4-methylphenyl)boronic acid |
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| INCHI | InChI=1S/C7H7BClFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,11-12H,1H3 |
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| InChi Key | ZNHMLMCKIJDZKL-UHFFFAOYSA-N |
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| Canonical SMILES | B(C1=CC(=C(C=C1F)C)Cl)(O)O |
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| Isomeric SMILES | B(C1=CC(=C(C=C1F)C)Cl)(O)O |
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| PubChem CID | 44717651 |
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| Molecular Weight | 188.39 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 188.390 g/mol |
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| XLogP3 | |
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| Hydrogen Bond Donor Count | 2 |
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| Hydrogen Bond Acceptor Count | 3 |
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| Rotatable Bond Count | 1 |
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| Exact Mass | 188.021 Da |
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| Monoisotopic Mass | 188.021 Da |
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| Topological Polar Surface Area | 40.500 Ų |
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| Heavy Atom Count | 12 |
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| Formal Charge | 0 |
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| Complexity | 158.000 |
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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)
| Signal | Warning |
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| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
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| 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. P405:Store locked up. P501:Dispose of contents/container to ... P312:Call a POISON CENTER or doctor/... if you feel unwell. P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P362:Take off contaminated clothing. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P337+P313:IF eye irritation persists: Get medical advice/attention. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. |
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