≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C2C=C3C=CC4=C5C3=C(C2=CC=C1)C=CC5=CC=C4 |
|---|---|
| IUPAC Name | 7-methylbenzo[a]pyrene |
| InChIKey | PYVWGNPFWVQISD-UHFFFAOYSA-N |
| INCHI | 1S/C21H14/c1-13-4-2-7-17-18-11-10-15-6-3-5-14-8-9-16(12-19(13)17)21(18)20(14)15/h2-12H,1H3 |
| Isomeric SMILES | CC1=C2C=C3C=CC4=C5C3=C(C2=CC=C1)C=CC5=CC=C4 |
| WGK Germany | 3 |
| RTECS | DJ7440000 |
| Molecular Weight | 266.34 |
| Reaxy-Rn | 2267228 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2267228&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 | Pyrenes |
| Subclass | Benzopyrenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzopyrenes |
| Alternative Parents | Chrysenes Anthracenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Benzo-a-pyrene - Chrysene - Phenanthrene - Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound |
| Description | 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 |
| Molecular Weight | 266.300 g/mol |
|---|---|
| XLogP3 | 6.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 266.11 Da |
| Monoisotopic Mass | 266.11 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 399.000 |
| 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 |
| 1. Peng Liu, Yuanyuan Zhang, Tieying Pan, Dexiang Zhang, Lishi Chen, Changrong Sun. (2022) Accurately quantifying carbon structural types and predicting pyrolysis behavior of coal using solid 13C NMR Cp/MAS spectra. FUEL, [PMID:] [10.1016/j.fuel.2022.125092] |
![7-Methylbenzo[a]pyrene - ≥98% CAS No(63041-77-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/4/M472554.png)