≥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 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-].O |
|---|---|
| IUPAC Name | bis(4-nitrophenyl) hydrogen phosphate;hydrate |
| InChIKey | AJCYEUQRBLMJDI-UHFFFAOYSA-N |
| INCHI | 1S/C12H9N2O8P.H2O/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18;/h1-8H,(H,19,20);1H2 |
| Isomeric SMILES | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-].O |
| WGK Germany | 3 |
| Reaxy-Rn | 17494746 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17494746&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 →| Melt Point(°C) | 172-175° C (lit.) |
|---|---|
| Molecular Weight | 358.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 358.02 Da |
| Monoisotopic Mass | 358.02 Da |
| Topological Polar Surface Area | 148.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 434.000 |
| 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 | 2 |
| 1. Jinhua Li, Namrta Choudhry, Gang Lv, Naganna Nimishetti, Mallu Chenna Reddy, Hong Liu, Thaddeus D. Allen, Jing Zhang, Dun Yang. (2023) In-vitro metabolism of LXY18, an orally available, potent blocker of AURKB relocation in mitosis. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, [PMID:37120975] [10.1016/j.jpba.2023.115415] |
| 2. Huiyi Liang, Yibo Du, Lixin Liu, Junqiu Liu, Yongming Chen. (2023) A Tailored Artificial DNase Blocks Sensor Activation and Prevents Autoimmune and Autoinflammatory Diseases. ADVANCED FUNCTIONAL MATERIALS, 33 (19): (2213465). [PMID:] [10.1002/adfm.202213465] |
| 3. Lizheng Duan, Tian Wu, Guizhen Hu, Jialu Yang, Yanmei Zhou. (2022) Deferasirox derivative-based fluorescent probes for the potential diagnosis and therapy of iron overload-induced hepatocellular carcinoma by cellular and zebrafish experiments. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2022.139444] |
| 4. Ge Fang, Ruonan Kang, Yu Chong, Liming Wang, Chuanqiang Wu, Cuicui Ge. (2022) MOF-based DNA hydrolases optimized by atom engineering for the removal of antibiotic-resistant genes from aquatic environment. APPLIED CATALYSIS B-ENVIRONMENTAL, [PMID:] [10.1016/j.apcatb.2022.121931] |
| 5. Haolu Hu, Xiaoxia Kang, Zhenhua Shan, Xiaoxiao Yang, Wei Bing, Li Wu, Haiyan Ge, Haiwei Ji. (2022) A DNase-mimetic artificial enzyme for the eradication of drug-resistant bacterial biofilm infections. Nanoscale, 14 (7): (2676-2685). [PMID:35107481] [10.1039/D1NR07629A] |
| 6. Xiangchuan Wu, Jinhui Wei, Chengyuan Wu, Guangping lv, Lina Wu. (2021) ZrO2/CeO2/polyacrylic acid nanocomposites with alkaline phosphatase-like activity for sensing. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:34304012] [10.1016/j.saa.2021.120165] |
| 7. Qian Yi, Han Haoyue, Li Long, Qiao Peng, Chang Guozhang. (2020) Flame retardancy and smoke suppression effect of bis(4-nitrophenyl) phosphate modified layered double hydroxides derived from red mud in thermoplastic polyurethanes. Journal of Material Cycles and Waste Management, 22 (5): (1648-1661). [PMID:] [10.1007/s10163-020-01055-w] |
| 8. Yusha Huang, Longcheng Gong, Chengli Xie, Wenling Qin, Min Wang, Lianzhe Hu, Zhining Xia. (2025) Anchoring biomimetic Zn site in metal–organic framework nanozyme to enhance phosphatase-like catalytic activity for discrimination of organophosphorus pesticides. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.160046] |
