≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CCCCC[N+](=O)[O-] |
|---|---|
| IUPAC Name | 1-nitropentane |
| InChIKey | BVALZCVRLDMXOQ-UHFFFAOYSA-N |
| INCHI | 1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3 |
| Isomeric SMILES | CCCCC[N+](=O)[O-] |
| WGK Germany | 3 |
| Molecular Weight | 117.15 |
| Reaxy-Rn | 506508 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506508&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 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | C-nitro compounds |
| Alternative Parents | Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon. |
| External Descriptors | a small molecule |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2612396 | Certificate of Analysis | Apr 30, 2026 | N469470 |
| Refractive Index | n20/D 1.417 (lit.) |
|---|---|
| Flash Point(°F) | 141.8 °F |
| Flash Point(°C) | 61 °C |
| Molecular Weight | 117.150 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 117.079 Da |
| Monoisotopic Mass | 117.079 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 67.300 |
| 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. Zhonghui Zhang, Weizhen Ye, Chun Li, Haihong Zhou, Chao Wang, Penghui Liu, Binxin Zhou, Hanqing Zhao, Shouchuang Wang, Jun Yang. (2024) Volatilomics-Based Discovery of Key Volatiles Affecting Flavor Quality in Tomato. Foods, 13 (6): (879). [PMID:38540868] [10.3390/foods13060879] |
