≥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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product Application：
4-Nitro-3-[(1-oxooctyl)oxy]benzoic acid is used to acrylate ε-amino groups of Lysine (L468895) in order to immobilize phospholipase A2 in snake venom.
| Pubchem Sid | 504768894 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768894 |
| Sorrisi canonici | CCCCCCCC(=O)OC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
| IUPAC Name | 4-nitro-3-octanoyloxybenzoic acid |
| InChIKey | VDCATWRTRISVBZ-UHFFFAOYSA-N |
| INCHI | 1S/C15H19NO6/c1-2-3-4-5-6-7-14(17)22-13-10-11(15(18)19)8-9-12(13)16(20)21/h8-10H,2-7H2,1H3,(H,18,19) |
| Isomeri SMILES | CCCCCCCC(=O)OC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
| Peso molecolare | 309.3 |
| Reaxy-Rn | 5588576 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5588576&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 | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzoic acids and derivatives |
| Alternative Parents | Phenol esters Benzoic acids Nitrobenzenes Phenoxy compounds Benzoyl derivatives Nitroaromatic compounds Fatty acid esters Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic oxides Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - Phenol ester - Benzoic acid - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Oggetto |
|---|---|---|---|
 K21171219 | Certificate of Analysis | Jun 11, 2026 | N275463 |
| K21171225 | Certificate of Analysis | Jun 11, 2026 | N275463 |
| K21171227 | Certificate of Analysis | Jun 11, 2026 | N275463 |
| K2117862 | Certificate of Analysis | Jun 11, 2026 | N275463 |
| E2621169 | Certificate of Analysis | May 27, 2026 | N275463 |
| Solubilità | Soluble in DMSO to 75 mM and in ethanol to 75 mM |
|---|---|
| Punto di fusione (°C) | 146-148℃ |
| Peso molecolare | 309.310 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 309.121 Da |
| Monoisotopic Mass | 309.121 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 392.000 |
| 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. Mengling Zhang, Rui Zhang, Jian Liu, Hongliang Wang, Zhen Wang, Juan Liu, Yang Shan, Huanling Yu. (2020) The Effects of 5,6,7,8,3′,4′-Hexamethoxyflavone on Apoptosis of Cultured Human Choriocarcinoma Trophoblast Cells. MOLECULES, 25 (4): (946). [PMID:32093273] [10.3390/molecules25040946] |
| 2. Jianqi Zhao, Guangyao Liu, Xiao Shi, Chunhong Huang. (2025) Combination of Rhamnetin and RXP03 Mitigates Venom-Induced Toxicity in Murine Models: Preclinical Insights into Dual-Target Antivenom Therapy. Toxins, 17 (6): (280). [PMID:40559858] [10.3390/toxins17060280] |
