≥97%以上(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
2-8℃で保管、アルゴン充填 Ships 濡れた氷 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.
| パブケム・シド | 504756011 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/504756011 |
| カノニカル・スマイル | CCC1=CC=C(C=C1)N=C=O |
| IUPAC Name | 1-ethyl-4-isocyanatobenzene |
| InChIKey | FWPYUSLQCQDLJR-UHFFFAOYSA-N |
| INCHI | 1S/C9H9NO/c1-2-8-3-5-9(6-4-8)10-7-11/h3-6H,2H2,1H3 |
| 異性体SMILES | CCC1=CC=C(C=C1)N=C=O |
| WGKドイツ | 3 |
| 分子量 | 147.18 |
| Reaxy-Rn | 971100 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971100&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 |
| 分類 | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| 説明 | 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 |
| 感度 | Heat sensitive ；Moisture sensitive |
|---|---|
| 屈折率 | 1.52 |
| 引火点（°F） | 190.4 °F |
| 引火点（°C） | 88 °C |
| 沸点（°C） | 68°C/1mmHg |
| 分子量 | 147.170 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 147.068 Da |
| Monoisotopic Mass | 147.068 Da |
| Topological Polar Surface Area | 29.400 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 |
D1902195