≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
Uses include the synthesis of carbodiimides from phosphinimines in preparing AZT analogues.
| Canonical Smiles | CCCCCCCCCCCCN=C=O |
|---|---|
| IUPAC Name | 1-isocyanatododecane |
| InChIKey | YIDSTEJLDQMWBR-UHFFFAOYSA-N |
| INCHI | 1S/C13H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3 |
| Isomeric SMILES | CCCCCCCCCCCCN=C=O |
| PubChem CID | 77873 |
| Molecular Weight | 211.34 |
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 |
| Class | 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 acyclic 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 acyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 J2515405 | Certificate of Analysis | Sep 26, 2025 | D770155 |
| J2515406 | Certificate of Analysis | Sep 26, 2025 | D770155 |
| J2515407 | Certificate of Analysis | Sep 26, 2025 | D770155 |
| J2515436 | Certificate of Analysis | Sep 26, 2025 | D770155 |
| Sensitivity | Heat sensitive；Moisture sensitive |
|---|---|
| Flash Point(°C) | 134°C |
| Boil Point(°C) | 157-161°C/21mmHg |
| Molecular Weight | 211.340 g/mol |
| XLogP3 | 6.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 11 |
| Exact Mass | 211.194 Da |
| Monoisotopic Mass | 211.194 Da |
| Topological Polar Surface Area | 29.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| 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. Min Zhong, Peiqin Liang, Zhenzhen Feng, Xin Yang, Guang Li, Rui Sun, Lijuan He, Jinxiu Tan, Yangpengcheng Xiao, Zhiqiang Yu, Muhua Yi, Xuefeng Wang. (2023) A nanocomposite competent to overcome cascade drug resistance in ovarian cancer via mitochondria dysfunction and NO gas synergistic therapy. Asian Journal of Pharmaceutical Sciences, [PMID:38161785] [10.1016/j.ajps.2023.100872] |
