≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged,Desiccated 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.
| Pubchem Sid | 504752828 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752828 |
| Sonrisas canónicas | C1CC(CCC1N=C=O)N=C=O |
| IUPAC Name | 1,4-diisocyanatocyclohexane |
| InChIKey | CDMDQYCEEKCBGR-UHFFFAOYSA-N |
| INCHI | 1S/C8H10N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h7-8H,1-4H2 |
| Isómeros SMILES | C1CC(CCC1N=C=O)N=C=O |
| WGK Alemania | 3 |
| RTECS | GU9642500 |
| PubChem CID | 17367 |
| Número ONU | 2811 |
| Grupo de embalaje | II |
| Peso molecular | 166.18 |
| Beilstein | 2804862 |
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 | Organic nitrogen compounds |
| Clase | Organonitrogen compounds |
| Subclass | Isocyanates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isocyanates |
| Alternative Parents | Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 F23061911 | Certificate of Analysis | Mar 18, 2026 | T353033 |
| J2511648 | Certificate of Analysis | Sep 19, 2025 | T353033 |
| J2511649 | Certificate of Analysis | Sep 19, 2025 | T353033 |
| E2514053 | Certificate of Analysis | Jul 08, 2024 | T353033 |
| H2406670 | Certificate of Analysis | Jul 08, 2024 | T353033 |
| H2406674 | Certificate of Analysis | Jul 08, 2024 | T353033 |
| F23061849 | Certificate of Analysis | Apr 13, 2023 | T353033 |
| Solubilidad | Soluble in water (hydrolyzes). |
|---|---|
| Sensibilidad | moisture sensitive |
| Índice de refracción | n20D1.57 (Predicted) |
| Punto de ebullición (°C) | 145-146° C at 32 mmHg |
| Punto de fusión (°C) | 59-62 °C |
| Peso molecular | 166.180 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 166.074 Da |
| Monoisotopic Mass | 166.074 Da |
| Topological Polar Surface Area | 58.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| 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 |
