≥99 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCCC |
|---|---|
| IUPAC Name | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane |
| InChIKey | IMNFDUFMRHMDMM-NEBSKJCTSA-N |
| INCHI | 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2 |
| Isomeric SMILES | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] |
| WGK Germany | 3 |
| Alternate CAS | 142-82-5(unlabelled) |
| UN Number | 1206 |
| Packing Group | II |
| Molecular Weight | 116.3 |
| Reaxy-Rn | 1730763 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730763&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 | Hydrocarbons |
| Class | Saturated hydrocarbons |
| Subclass | Alkanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkanes |
| Alternative Parents | Not available |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acyclic alkane - Alkane - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. |
| 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 |
|---|---|---|---|
 D2303943 | Certificate of Analysis | Jan 16, 2025 | H118382 |
| A2509251 | Certificate of Analysis | Apr 01, 2024 | H118382 |
| L1927007 | Certificate of Analysis | Jul 12, 2023 | H118382 |
| D2303947 | Certificate of Analysis | Jan 11, 2023 | H118382 |
| E1408024 | Certificate of Analysis | Oct 19, 2022 | H118382 |
| Solubility | Difficult to mix. |
|---|---|
| Sensitivity | Light &Moisture sensitive. |
| Refractive Index | 1.3844 |
| Flash Point(°F) | 24.8℉ |
| Flash Point(°C) | -4°C |
| Boil Point(°C) | 98°C |
| Melt Point(°C) | -91°C |
| Molecular Weight | 116.300 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 4 |
| Exact Mass | 116.226 Da |
| Monoisotopic Mass | 116.226 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 19.200 |
| Isotope Atom Count | 16 |
| 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 |
