≥99.94 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 508813884 |
|---|---|
| Canonical Smiles | CC1=CC=CC=C1 |
| IUPAC Name | 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene |
| InChIKey | YXFVVABEGXRONW-JGUCLWPXSA-N |
| INCHI | 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D |
| Isomeric SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[2H])[2H])[2H] |
| WGK Germany | 2 |
| Alternate CAS | 108-88-3（Unlabeled） |
| UN Number | 1294 |
| Molecular Weight | 100.19 |
| Beilstein | 1909300 |
| Reaxy-Rn | 635760 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635760&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 | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Toluenes |
| Alternative Parents | Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group. |
| 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 |
|---|---|---|---|
 D2628107 | Certificate of Analysis | May 15, 2026 | T102275 |
| C1805072 | Certificate of Analysis | Apr 09, 2025 | T102275 |
| C1914149 | Certificate of Analysis | Jul 11, 2024 | T102275 |
| E2424020 | Certificate of Analysis | Jun 21, 2024 | T102275 |
| H2223470 | Certificate of Analysis | May 07, 2024 | T102275 |
| H2223471 | Certificate of Analysis | May 07, 2024 | T102275 |
| H2223472 | Certificate of Analysis | May 07, 2024 | T102275 |
| H2223473 | Certificate of Analysis | May 07, 2024 | T102275 |
| H2223474 | Certificate of Analysis | May 07, 2024 | T102275 |
| H2223476 | Certificate of Analysis | May 07, 2024 | T102275 |
| I2007158 | Certificate of Analysis | Apr 03, 2024 | T102275 |
| I2007157 | Certificate of Analysis | Apr 03, 2024 | T102275 |
| I2007156 | Certificate of Analysis | Apr 03, 2024 | T102275 |
| I2007155 | Certificate of Analysis | Apr 03, 2024 | T102275 |
| I2007154 | Certificate of Analysis | Apr 03, 2024 | T102275 |
| I2007153 | Certificate of Analysis | Apr 03, 2024 | T102275 |
| Solubility | Soluble in water.0.5 g/L (20°C) |
|---|---|
| Sensitivity | Hygroscopic |
| Refractive Index | 1.494 |
| Flash Point(°F) | 39.2 °F |
| Flash Point(°C) | 4 °C |
| Boil Point(°C) | 110°C |
| Melt Point(°C) | -93°C |
| Molecular Weight | 100.190 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 100.113 Da |
| Monoisotopic Mass | 100.113 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 42.000 |
| Isotope Atom Count | 8 |
| 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 |
