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Basic Description
| Synonyms | 3,5-Dinitrobenzoyl chloride, 98% | 3,5-Dinitrobenzoylchloride | AC-10854 | NCI60_002195 | 4-09-00-01350 (Beilstein Handbook Reference) | DTXSID2059194 | EINECS 202-750-6 | W-100041 | 3,5-DINITROBENZOYL CHLORIDE [MI] | FT-0614720 | 5JFA2DVM4D | NSC2697 | N |
|---|---|
| Specifications & Purity | for HPLC derivatization, ≥99% |
| Storage Temp | Argon charged |
| Shipped In | Normal |
| Grade | for HPLC derivatization |
Associated Targets(Human)
ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DLD-1 (17511 Activities)
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DMS-273 (14108 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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RPMI-8226 (44974 Activities)
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RXF 631 (11415 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SNB-19 (46794 Activities)
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SNB-78 (14240 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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XF498 (12972 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HCT-116 (91556 Activities)
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HOP-92 (41141 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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LOX IMVI (44321 Activities)
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HOP-62 (47048 Activities)
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LXFL 529 (14112 Activities)
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M19-MEL (15326 Activities)
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Malme-3M (44254 Activities)
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SNB-75 (44215 Activities)
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NCI-H226 (44470 Activities)
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NCI-H23 (49055 Activities)
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NCI-H522 (44358 Activities)
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SF-539 (44845 Activities)
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SR (39847 Activities)
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504751343 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751343 |
| IUPAC Name | 3,5-dinitrobenzoyl chloride |
| INCHI | InChI=1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H |
| InChi Key | NNOHXABAQAGKRZ-UHFFFAOYSA-N |
| Canonical SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl |
| Isomeric SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl |
| WGK Germany | 3 |
| RTECS | DM6637000 |
| UN Number | 3261 |
| Packing Group | II |
| Molecular Weight | 230.56 |
| Beilstein | 990249 |
| Reaxy-Rn | 990249 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=990249&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G23051103 | Certificate of Analysis | Apr 09, 2025 | D100650 |
| B2508480 | Certificate of Analysis | Jan 06, 2025 | D100650 |
| A2521209 | Certificate of Analysis | Jan 06, 2025 | D100650 |
| J2228304 | Certificate of Analysis | Sep 09, 2024 | D100650 |
| J2228302 | Certificate of Analysis | Aug 12, 2024 | D100650 |
| H2414384 | Certificate of Analysis | Aug 08, 2024 | D100650 |
| H2414406 | Certificate of Analysis | Aug 08, 2024 | D100650 |
| H2110168 | Certificate of Analysis | Nov 13, 2023 | D100650 |
| G23051107 | Certificate of Analysis | Jun 12, 2023 | D100650 |
Chemical and Physical Properties
| Solubility | Soluble in Benzene,Toluene |
|---|---|
| Sensitivity | Moisture Sensitive |
| Boil Point(°C) | 196°C |
| Melt Point(°C) | 69.5°C |
| Molecular Weight | 230.560 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 229.973 Da |
| Monoisotopic Mass | 229.973 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 275.000 |
| 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 |
Safety and Hazards(GHS)
| Pictogram(s) | GHS05, GHS02 |
|---|---|
| Signal | Danger |
| Hazard Statements | H314:Causes severe skin burns and eye damage |
| Precautionary Statements | P280:Wear protective gloves/protective clothing/eye protection/face protection. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P363:Wash contaminated clothing before reuse. P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P302+P361+P354:IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes. P316:Get emergency medical help immediately. |
| WGK Germany | 3 |
| RTECS | DM6637000 |
| Reaxy-Rn | 990249 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=990249&ln= |
| Class | 4.1(8) |
| Merck Index | 3277 |
Specifications
| Purity(Titration by AgNO3) | 99-102.5（%） |
|---|---|
| Melting point | 68-71（℃） |
| Appearance（D100650) | Yellow to Orange to Tan Solid,Powder or Crystals |
| HPLC derivatization test | Pass |
| Infrared spectrum | Conforms to Structure |
| Solubility in Toluene | almost transparency |
Citations of This Product
| 1. Zhefu Wu, Jie Yang, Zhimei Wei, Qing Su, Shushan Yuan, Xiaojun Wang, Shengru Long, Suilin Liu, Gang Zhang. (2022) Novel Fe2+ responsive nanofibrous membrane for corrosion detection and adsorption. POLYMER, 248 (124817). [PMID:] [10.1016/j.polymer.2022.124817] |
| 2. Qingqing Ye, Baozhong Zhang, Yanhua Yang, Xiaoyu Hu, Yingzhong Shen. (2020) Binary/ternary memory behavior of organo-solubility polyimides containing flexible imide linkages and pendent triphenylamine or 3, 4, 5-trifluobenzene moieties. EUROPEAN POLYMER JOURNAL, 125 (109473). [PMID:] [10.1016/j.eurpolymj.2020.109473] |
| 3. Weiqing Kong, Qingqing Dai, Junli Ren, Nianfang Ma. (2015) Homogeneous acylation of xylan with 3,5-dinitrobenzoyl in ionic liquid and the adsorption property. CARBOHYDRATE POLYMERS, 128 (105). [PMID:26005145] [10.1016/j.carbpol.2015.04.006] |
References
| 1. Zhefu Wu, Jie Yang, Zhimei Wei, Qing Su, Shushan Yuan, Xiaojun Wang, Shengru Long, Suilin Liu, Gang Zhang. (2022) Novel Fe2+ responsive nanofibrous membrane for corrosion detection and adsorption. POLYMER, 248 (124817). [PMID:] [10.1016/j.polymer.2022.124817] |
| 2. Qingqing Ye, Baozhong Zhang, Yanhua Yang, Xiaoyu Hu, Yingzhong Shen. (2020) Binary/ternary memory behavior of organo-solubility polyimides containing flexible imide linkages and pendent triphenylamine or 3, 4, 5-trifluobenzene moieties. EUROPEAN POLYMER JOURNAL, 125 (109473). [PMID:] [10.1016/j.eurpolymj.2020.109473] |
| 3. Weiqing Kong, Qingqing Dai, Junli Ren, Nianfang Ma. (2015) Homogeneous acylation of xylan with 3,5-dinitrobenzoyl in ionic liquid and the adsorption property. CARBOHYDRATE POLYMERS, 128 (105). [PMID:26005145] [10.1016/j.carbpol.2015.04.006] |