| SKU | Size | Availability | Price | Qty |
|---|---|---|---|---|
| C170520-250mg | 250mg | 3 | $45.90 | |
| C170520-1g | 1g | 2 | $140.90 |
| Synonyms | 2-Chloro-4-fluoro-5-sulfamoylbenzoic acid | 4793-24-2 | 2-CHLORO-4-FLUORO-5-SULFAMOYLBENZOICACID | MFCD01321357 | SCHEMBL330135 | Benzoic acid, 5-(aminosulfonyl)-2-chloro-4-fluoro- | DTXSID20401136 | DDGOQDDPEWYVRD-UHFFFAOYSA-N | AKOS000130881 | BP-12753 | DS-13089 | SY316368 | |
|---|---|
| Specifications & Purity | ≥96% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
| Product Description | 2-Chloro-4-fluoro-5-sulfamoylbenzoic acid, also known as 5-(aminosulfonyl)-2-chloro-4-fluorobenzoic acid, is an aryl fluorinated building block employed in organic synthesis. |
| Pubchem Sid | 504762932 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762932 |
| IUPAC Name | 2-chloro-4-fluoro-5-sulfamoylbenzoic acid |
| INCHI | InChI=1S/C7H5ClFNO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14) |
| InChi Key | DDGOQDDPEWYVRD-UHFFFAOYSA-N |
| Canonical SMILES | C1=C(C(=CC(=C1S(=O)(=O)N)F)Cl)C(=O)O |
| Isomeric SMILES | C1=C(C(=CC(=C1S(=O)(=O)N)F)Cl)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 253.64 |
| Reaxy-Rn | 2744199 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2744199&ln= |
| Melt Point(°C) | 245-248°C |
|---|---|
| Molecular Weight | 253.640 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 252.961 Da |
| Monoisotopic Mass | 252.961 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| Pictogram(s) | GHS07 |
|---|---|
| Signal | Warning |
| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
| 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. 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. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. 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 | 2744199 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2744199&ln= |
| Melting point | 237-242（℃） |
|---|---|
| Purity(HPLC) | 96-100（%） |
| Appearance（C170520) | White Powder or Crystals |
| Proton NMR spectrum | Conforms to Structure |
I1911153