≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504755016 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755016 |
| Canonical Smiles | CC1=C(C(=CC=C1)C)[N+]#[C-] |
| IUPAC Name | 2-isocyano-1,3-dimethylbenzene |
| InChIKey | DNJLFZHMJDSJFN-UHFFFAOYSA-N |
| INCHI | 1S/C9H9N/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-2H3 |
| Isomeric SMILES | CC1=C(C(=CC=C1)C)[N+]#[C-] |
| WGK Germany | 3 |
| Molecular Weight | 131.17 |
| Reaxy-Rn | 2207442 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207442&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 | Xylenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | m-Xylenes |
| Alternative Parents | Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-xylene - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2625200 | Certificate of Analysis | Mar 03, 2026 | B301191 |
| K2230493 | Certificate of Analysis | Sep 09, 2025 | B301191 |
| K2230548 | Certificate of Analysis | Sep 09, 2025 | B301191 |
| K2230549 | Certificate of Analysis | Sep 09, 2025 | B301191 |
| K2230550 | Certificate of Analysis | Sep 09, 2025 | B301191 |
| H2131056 | Certificate of Analysis | Jun 06, 2024 | B301191 |
| H2131063 | Certificate of Analysis | Jun 06, 2024 | B301191 |
| G2130169 | Certificate of Analysis | May 17, 2024 | B301191 |
| J2429304 | Certificate of Analysis | Apr 02, 2024 | B301191 |
| F2510153 | Certificate of Analysis | Sep 28, 2022 | B301191 |
| Solubility | Insoluble in water. |
|---|---|
| Sensitivity | air sensitive ;heat sensitive |
| Melt Point(°C) | 72-75 °C |
| Molecular Weight | 131.170 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 131.073 Da |
| Monoisotopic Mass | 131.073 Da |
| Topological Polar Surface Area | 4.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 143.000 |
| 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 |
| 1. Chenshuo Wu, Hongpeng He, Yahui Song, Cuixia Bi, Lixiang Xing, Wei Du, Shenggang Li, Haibing Xia. (2020) Synthesis of large gold nanoparticles with deformation twinnings by one-step seeded growth with Cu(II)-mediated Ostwald ripening for determining nitrile and isonitrile groups. Nanoscale, 12 (32): (16934-16943). [PMID:32776026] [10.1039/D0NR04733C] |
| 2. Hao Liu, Lingwen Liao, Wanmiao Gu, Runguo Wang, Qing You, Zhen He, Zongbing He, Zhiyuan Lin, Zhikun Wu. (2026) Metal Nanocluster-Based Manufacturing of 2D Film With an Insulator-to-Conductor Tunability. Aggregate, 7 (3): (e70308). [PMID:] [10.1002/agt2.70308] |
