≥98%,≥98 atom% D 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCCCCBr |
|---|---|
| IUPAC Name | 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctane |
| InChIKey | VMKOFRJSULQZRM-OISRNESJSA-N |
| INCHI | 1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2 |
| Isomeric SMILES | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br |
| Alternate CAS | 111-83-1(unlabelled) |
| Molecular Weight | 210.23 |
| Reaxy-Rn | 1733136 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733136&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 | Organohalogen compounds |
| Class | Organobromides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organobromides |
| Alternative Parents | Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom. |
| External Descriptors | Not available |
| Refractive Index | n20/D 1.4518 (lit.) |
|---|---|
| Flash Point(°F) | 172.4 °F - closed cup |
| Flash Point(°C) | 78 °C - closed cup |
| Boil Point(°C) | 201℃ (lit.) |
| Melt Point(°C) | −55℃ (lit.) |
| Molecular Weight | 210.230 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 6 |
| Exact Mass | 209.158 Da |
| Monoisotopic Mass | 209.158 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 43.800 |
| Isotope Atom Count | 17 |
| 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 |
