≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
Product Application：
2,6-Dimethylphenyl isocyanate has been used in the preparation of derivatized β-cyclodextrins, used as chiral stationary phase in normal-phase liquid chromatography, tris( 2,6-dimethylphenylimido)methylrhenium (VII), 1-(2-isopropylphenyl)-3-(2,6-dimethylphenyl)urea.
| Pubchem Sid | 504755915 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755915 |
| Canonical Smiles | CC1=C(C(=CC=C1)C)N=C=S |
| IUPAC Name | 2-isothiocyanato-1,3-dimethylbenzene |
| InChIKey | UULUECCNPPJFBU-UHFFFAOYSA-N |
| INCHI | 1S/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3 |
| Isomeric SMILES | CC1=C(C(=CC=C1)C)N=C=S |
| WGK Germany | 3 |
| Molecular Weight | 163.24 |
| Beilstein | 637195 |
| Reaxy-Rn | 637195 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637195&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 | Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-xylene - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - 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 |
|---|---|---|---|
 I2008180 | Certificate of Analysis | Aug 15, 2024 | D140566 |
| H2329178 | Certificate of Analysis | Apr 21, 2023 | D140566 |
| H2329179 | Certificate of Analysis | Apr 21, 2023 | D140566 |
| H2329180 | Certificate of Analysis | Apr 21, 2023 | D140566 |
| H2329181 | Certificate of Analysis | Apr 21, 2023 | D140566 |
| D23141452 | Certificate of Analysis | Mar 21, 2023 | D140566 |
| D23141494 | Certificate of Analysis | Mar 21, 2023 | D140566 |
| D23141496 | Certificate of Analysis | Mar 21, 2023 | D140566 |
| D23141502 | Certificate of Analysis | Mar 21, 2023 | D140566 |
| Solubility | Hydrolyzes in water. |
|---|---|
| Sensitivity | Moisture Sensitive |
| Refractive Index | 1.625 |
| Flash Point(°F) | >230°F |
| Flash Point(°C) | >110℃ |
| Boil Point(°C) | 247°C |
| Molecular Weight | 163.240 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 163.046 Da |
| Monoisotopic Mass | 163.046 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| 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 |
