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≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | 504752042 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752042 |
| Canonical Smiles | CC(C)CCO[N+](=O)[O-] |
| IUPAC Name | 3-methylbutyl nitrate |
| InChIKey | NTHGIYFSMNNHSC-UHFFFAOYSA-N |
| INCHI | 1S/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3 |
| Isomeric SMILES | CC(C)CCO[N+](=O)[O-] |
| RTECS | NT0187000 |
| UN Number | 1112 |
| Packing Group | III |
| Molecular Weight | 133.15 |
| Beilstein | 1(4)1683 |
| Reaxy-Rn | 1702824 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702824&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 20, 2026 | I157464 | |
| Certificate of Analysis | Oct 21, 2025 | I157464 | |
| Certificate of Analysis | Jan 09, 2025 | I157464 | |
| Certificate of Analysis | Jun 26, 2024 | I157464 | |
| Certificate of Analysis | Jun 26, 2024 | I157464 | |
| Certificate of Analysis | Jun 26, 2024 | I157464 | |
| Certificate of Analysis | Dec 30, 2021 | I157464 |
| Solubility | Slightly soluble in water; Soluble in Alcohol,Ether |
|---|---|
| Sensitivity | air & light sensitive |
| Refractive Index | 1.41 |
| Boil Point(°C) | 148℃ |
| Molecular Weight | 133.150 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 133.074 Da |
| Monoisotopic Mass | 133.074 Da |
| Topological Polar Surface Area | 55.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 86.700 |
| 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 |