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(2,4-Dimethylphenyl)(isocyano)methyl 4-methylphenyl sulfone - ≥95% , CAS No.1247878-30-3
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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(C2=C(C=C(C=C2)C)C)[N+]#[C-] |
|---|---|
| IUPAC Name | 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-2,4-dimethylbenzene |
| InChIKey | GGEVCMLDVLELSH-UHFFFAOYSA-N |
| INCHI | 1S/C17H17NO2S/c1-12-5-8-15(9-6-12)21(19,20)17(18-4)16-10-7-13(2)11-14(16)3/h5-11,17H,1-3H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C2=C(C=C(C=C2)C)C)[N+]#[C-] |
| PubChem CID | 45032311 |
| Molecular Weight | 299.4 |
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 | 299.400 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 299.098 Da |
| Monoisotopic Mass | 299.098 Da |
| Topological Polar Surface Area | 46.900 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 491.000 |
| 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 |
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