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Methanesulfenyl chloride, trifluoro- , CAS No.421-17-0
AVAILABLE TO ORDER
Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | C(F)(F)(F)SCl |
|---|---|
| IUPAC Name | trifluoromethyl thiohypochlorite |
| InChIKey | RQYLOOVORNJDQX-UHFFFAOYSA-N |
| INCHI | 1S/CClF3S/c2-6-1(3,4)5 |
| Isomeric SMILES | C(F)(F)(F)SCl |
| PubChem CID | 67900 |
| Molecular Weight | 136.52 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organohalogen compounds
- Class Alkyl halides
- Subclass Halomethanes
- Class Alkyl halides
- Superclass Organohalogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Alkyl halides |
| Subclass | Halomethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trihalomethanes |
| Alternative Parents | Sulfenyl halides Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Trihalomethane - Sulfenyl halide - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Alkyl fluoride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 136.520 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 135.936 Da |
| Monoisotopic Mass | 135.936 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 40.500 |
| 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 |
Solution Calculators
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