≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752039 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752039 |
| Canonical Smiles | CC(C)CO[N+](=O)[O-] |
| IUPAC Name | 2-methylpropyl nitrate |
| InChIKey | LNNXFUZKZLXPOF-UHFFFAOYSA-N |
| INCHI | 1S/C4H9NO3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3 |
| Isomeric SMILES | CC(C)CO[N+](=O)[O-] |
| Molecular Weight | 119.12 |
| Reaxy-Rn | 1701848 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701848&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 oxygen compounds |
| Class | Organic oxoanionic compounds |
| Subclass | Organic nitrates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkyl nitrates |
| Alternative Parents | Organic nitro compounds Organic nitric acids and derivatives Organooxygen compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alkyl nitrate - Organic nitro compound - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl nitrates. These are organic compounds containing a nitrate that is O-linked to an alkyl group. |
| External Descriptors | Not available |
| Boil Point(°C) | 123° C (lit.) |
|---|---|
| Molecular Weight | 119.120 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 119.058 Da |
| Monoisotopic Mass | 119.058 Da |
| Topological Polar Surface Area | 55.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 75.800 |
| 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 |
L2518054