≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
4-Ethylphenyl isothiocyanate, also referred as 1-ethyl-4-isothiocyanatobenzene, is an isothiocyanate derivative.
| Pubchem Sid | 528759947 |
|---|---|
| Sorrisos canónicos | CCC1=CC=C(C=C1)N=C=S |
| IUPAC Name | 1-ethyl-4-isothiocyanatobenzene |
| InChIKey | XXLWCGRHJFEMQH-UHFFFAOYSA-N |
| INCHI | 1S/C9H9NS/c1-2-8-3-5-9(6-4-8)10-7-11/h3-6H,2H2,1H3 |
| SMILES isoméricas | CCC1=CC=C(C=C1)N=C=S |
| WGK Alemanha | 3 |
| Peso molecular | 163.24 |
| Beilstein | 2802384 |
| Reaxy-Rn | 2802384 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802384&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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descrição | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
 H2211128 | Certificate of Analysis | May 20, 2026 | E140567 |
| H2211131 | Certificate of Analysis | May 20, 2026 | E140567 |
| H2211354 | Certificate of Analysis | May 20, 2026 | E140567 |
| H2211355 | Certificate of Analysis | May 20, 2026 | E140567 |
| G2212102 | Certificate of Analysis | Apr 07, 2026 | E140567 |
| A1720040 | Certificate of Analysis | Sep 10, 2024 | E140567 |
| Sensibilidade | Moisture Sensitive |
|---|---|
| Índice de refração | 1.62 (lit.) |
| Ponto de inflamação (°F) | 230°F |
| Ponto de inflamação (°C) | >110℃ |
| Ponto de ebulição (°C) | 245 °C (lit.) |
| Peso molecular | 163.240 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 163.046 Da |
| Monoisotopic Mass | 163.046 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 153.000 |
| 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 |
