≥97% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCC[N+]#[C-] |
|---|---|
| IUPAC Name | 1-isocyanobutane |
| InChIKey | FSBLVBBRXSCOKU-UHFFFAOYSA-N |
| INCHI | 1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3 |
| Isomeric SMILES | CCCC[N+]#[C-] |
| Molecular Weight | 83.13 |
| Reaxy-Rn | 1850547 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1850547&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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Organic isocyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic isocyanides |
| Alternative Parents | Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Organic isocyanide - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic isocyanides. These are organic compounds containing the isomer HN+#C- of hydrocyanic acid, HC#N, or its hydrocarbyl derivatives RNC (RN+#C-). |
| External Descriptors | Not available |
| Molecular Weight | 83.130 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 83.0735 Da |
| Monoisotopic Mass | 83.0735 Da |
| Topological Polar Surface Area | 4.400 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 57.600 |
| 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. Hui Yang, Chaonan Tao, Lincai Peng, Junhua Zhang, Liang He, Huai Liu. (2022) Reactive and Mechanistic Insights into the Acid-Catalyzed Conversion of Concentrated C5/C6 Sugars in Ethylene Glycol. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.1c07807] |
| 2. Chaonan Tao, Lincai Peng, Junhua Zhang, Liang He. (2020) Al-modified heteropolyacid facilitates alkyl levulinate production from cellulose and lignocellulosic biomass: Kinetics and mechanism studies. FUEL PROCESSING TECHNOLOGY, [PMID:] [10.1016/j.fuproc.2020.106709] |
