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Isoxazole-4-carboxylic acid - 97%, high purity , CAS No.6436-62-0
Basic Description
| Specifications & Purity | ≥97% |
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| Shipped In | Normal |
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Names and Identifiers
| Pubchem Sid | 488194147 |
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| IUPAC Name | 1,2-oxazole-4-carboxylic acid |
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| INCHI | InChI=1S/C4H3NO3/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7) |
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| InChi Key | LYPXTDXYEQEIIN-UHFFFAOYSA-N |
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| Canonical SMILES | C1=C(C=NO1)C(=O)O |
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| Isomeric SMILES | C1=C(C=NO1)C(=O)O |
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| PubChem CID | 3014488 |
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| Molecular Weight | 113.07 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Melt Point(°C) | 123-124 °C |
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| Molecular Weight | 113.070 g/mol |
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| XLogP3 | -0.100 |
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| Hydrogen Bond Donor Count | 1 |
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| Hydrogen Bond Acceptor Count | 4 |
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| Rotatable Bond Count | 1 |
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| Exact Mass | 113.011 Da |
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| Monoisotopic Mass | 113.011 Da |
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| Topological Polar Surface Area | 63.300 Ų |
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| Heavy Atom Count | 8 |
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| Formal Charge | 0 |
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| Complexity | 103.000 |
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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 |
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| Signal | Warning |
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| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed |
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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. 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. |
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