≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756434 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756434 |
| Canonical Smiles | C1=CC(=CC=C1CBr)S(=O)(=O)F |
| IUPAC Name | 4-(bromomethyl)benzenesulfonyl fluoride |
| InChIKey | WWAPDVQUZYCNCR-UHFFFAOYSA-N |
| INCHI | 1S/C7H6BrFO2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2 |
| Isomeric SMILES | C1=CC(=CC=C1CBr)S(=O)(=O)F |
| UN Number | 3261 |
| Molecular Weight | 253.09 |
| Reaxy-Rn | 8761494 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8761494&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Benzyl bromides Sulfonyls Sulfonyl fluorides Organosulfonic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl group - Benzyl bromide - Benzyl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl fluoride - Sulfonyl halide - Sulfonyl - Alkyl halide - Alkyl bromide - Organosulfur compound - Organohalogen compound - Organobromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Not available |
| Flash Point(°F) | Not applicable |
|---|---|
| Flash Point(°C) | Not applicable |
| Melt Point(°C) | 80-85℃ |
| Molecular Weight | 253.090 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 251.926 Da |
| Monoisotopic Mass | 251.926 Da |
| Topological Polar Surface Area | 42.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 226.000 |
| 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 |
C23101229