≥99 atom% 13C 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.
| Canonical Smiles | CCC1=CC=CC=C1 |
|---|---|
| IUPAC Name | (113C)ethylbenzene |
| InChIKey | YNQLUTRBYVCPMQ-VQEHIDDOSA-N |
| INCHI | 1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i2+1 |
| Isomeric SMILES | C[13CH2]C1=CC=CC=C1 |
| UN Number | 1175 |
| Molecular Weight | 107.16 |
| Reaxy-Rn | 1901871 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901871&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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
| x_flash_point_drop_fahrenheit | 71.6 °F - closed cup |
|---|---|
| x_flash_point_drop_centigrade | 22 °C - closed cup |
| x_boil_point_char | 136℃ (lit.) |
| Molecular Weight | 107.160 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 107.082 Da |
| Monoisotopic Mass | 107.082 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 51.100 |
| Isotope Atom Count | 1 |
| 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 |
