≥98 atom% D,≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4 |
|---|---|
| IUPAC Name | 1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[e]pyrene |
| InChIKey | TXVHTIQJNYSSKO-AQZSQYOVSA-N |
| INCHI | 1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D |
| Isómeros SMILES | [2H]C1=C(C(=C2C(=C1[2H])C3=C(C(=C(C4=C3C5=C(C(=C(C(=C25)[2H])[2H])[2H])C(=C4[2H])[2H])[2H])[2H])[2H])[2H])[2H] |
| Número ONU | 3077 |
| Peso molecular | 264.38 |
| Reaxy-Rn | 1911334 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911334&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 |
| Clase | Pyrenes |
| Subclass | Benzopyrenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzopyrenes |
| Alternative Parents | Triphenylenes Anthracenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Benzo-e-pyrene - Triphenylene - Phenanthrene - Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. |
| External Descriptors | Not available |
| Punto de inflamación (°F) | Not applicable |
|---|---|
| Punto de inflamación (°C) | Not applicable |
| Punto de fusión (°C) | 177-180℃ (lit.) |
| Peso molecular | 264.400 g/mol |
| XLogP3 | 6.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 264.169 Da |
| Monoisotopic Mass | 264.169 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 336.000 |
| Isotope Atom Count | 12 |
| 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 |
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