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3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl Chloride - 98%, high purity , CAS No.4462-55-9
Basic Description
| Synonyms | 3-(2,6-Dichlorophenyl)-5-methyl isoxazole-4-carbonyl chloride | BORICACIDTRI-O-TOLYLESTER | STL373442 | Tox21_113775 | SR-01000944785-1 | Fat Bordeaux R | BP-10805 | Phenetole, m-bromo- | STR00636 | 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl c |
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| Specifications & Purity | ≥98% |
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| Shipped In | Normal |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride |
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| INCHI | InChI=1S/C11H6Cl3NO2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3 |
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| InChi Key | IZQGELJKDARDMZ-UHFFFAOYSA-N |
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| Canonical SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl |
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| Isomeric SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl |
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| PubChem CID | 78212 |
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| Molecular Weight | 290.52 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Melt Point(°C) | 95 °C |
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| Molecular Weight | 290.500 g/mol |
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| XLogP3 | 4.200 |
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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 | 2 |
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| Exact Mass | 288.946 Da |
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| Monoisotopic Mass | 288.946 Da |
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| Topological Polar Surface Area | 43.100 Ų |
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| Heavy Atom Count | 17 |
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| Formal Charge | 0 |
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| Complexity | 292.000 |
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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) | GHS05, GHS07 |
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| Signal | Danger |
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| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H314:Causes severe skin burns and eye damage |
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| 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). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P363:Wash contaminated clothing before reuse. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P302+P361+P354:IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes. P316:Get emergency medical help immediately. |
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