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2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride - 97%, high purity , CAS No.54090-08-3
Basic Description
| Synonyms | 2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride, AldrichCPR | 2-chloro-5-(trifluoromethyl)benzenesulfonyl Chloride | AKOS001044540 | 2-chloro-5-(trifluoromethyl)- benzenesulfonyl chloride | 2-chloro-5-(trifluoromethyl)benzenesulphonylchloride | DTXSI |
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| Specifications & Purity | ≥97% |
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| Shipped In | Normal |
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Names and Identifiers
| Pubchem Sid | 504761100 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761100 |
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| IUPAC Name | 2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride |
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| INCHI | InChI=1S/C7H3Cl2F3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H |
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| InChi Key | ZEYKLMDPUOVUCR-UHFFFAOYSA-N |
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| Canonical SMILES | C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Cl |
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| Isomeric SMILES | C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Cl |
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| PubChem CID | 2734274 |
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| Molecular Weight | 279.07 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Boil Point(°C) | 117-119°C/1.0mm |
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| Molecular Weight | 279.060 g/mol |
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| XLogP3 | 3.500 |
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| Hydrogen Bond Donor Count | 0 |
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| Hydrogen Bond Acceptor Count | 5 |
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| Rotatable Bond Count | 1 |
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| Exact Mass | 277.918 Da |
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| Monoisotopic Mass | 277.918 Da |
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| Topological Polar Surface Area | 42.500 Ų |
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| Heavy Atom Count | 15 |
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| Formal Charge | 0 |
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| Complexity | 322.000 |
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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 | H314:Causes severe skin burns and eye damage H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled |
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| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. 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. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. 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. P330:Rinse mouth. P301+P317:IF SWALLOWED: Get medical help. P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P317:Get emergency 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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H1619070