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1-Benzyl-1-tosylmethylisocyanide - ≥95% , CAS No.58379-86-5
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GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships 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
Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2)[N+]#[C-] |
|---|---|
| IUPAC Name | 1-(1-isocyano-2-phenylethyl)sulfonyl-4-methylbenzene |
| InChIKey | XBGXGWNKJBMMPR-UHFFFAOYSA-N |
| INCHI | 1S/C16H15NO2S/c1-13-8-10-15(11-9-13)20(18,19)16(17-2)12-14-6-4-3-5-7-14/h3-11,16H,12H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2)[N+]#[C-] |
| PubChem CID | 15274276 |
| Molecular Weight | 285.4 |
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
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 | 285.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 285.082 Da |
| Monoisotopic Mass | 285.082 Da |
| Topological Polar Surface Area | 46.900 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 443.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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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