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Basic Description
| Synonyms | 4-nitro benzoyl chloride | 4-nitrobenzoyi chloride | NSC5381 | NSC-5381 | SCHEMBL43141 | A804833 | EC 204-517-4 | X3H8PW2GC4 | CAS-122-04-3 | EN300-18044 | 4-Nitrobenzoyl chloride, 98% | Nitrobenzoyl chloride, 4- | 4-Nitrobenzoic acid chloride | NSC 5381 |
|---|---|
| Specifications & Purity | ≥98% |
| Biochemical and Physiological Mechanisms | 4-Nitrobenzoyl chloride reacts with triphenylphosphonium salt to synthesize benzofurans (potential positron emission tomography (PET) tracers) by the intramolecular Wittig reaction.It has been used for the derivatisation of Adiol (Androstenediol, an endog |
| Storage Temp | Room temperature,Desiccated |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Benzoic acids and derivatives Nitroaromatic compounds Benzoyl derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Acyl chlorides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - C-nitro compound - Organic nitro compound - Acyl chloride - Acyl halide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
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Associated Targets(Human)
ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Lymphoblastoid cell (5959 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Rattus norvegicus (775804 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 | 504751696 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751696 |
| IUPAC Name | 4-nitrobenzoyl chloride |
| INCHI | InChI=1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H |
| InChIKey | SKDHHIUENRGTHK-UHFFFAOYSA-N |
| Smiles | C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-] |
| Isomeric SMILES | C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-] |
| WGK Germany | 2 |
| RTECS | DM6651000 |
| UN Number | 1759 |
| Packing Group | I |
| Molecular Weight | 185.56 |
| Beilstein | 473192 |
| Reaxy-Rn | 473192 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473192&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 |
|---|---|---|---|
 I2320322 |
Certificate of Analysis | Jun 10, 2025 | N106144 |
| I2320320 |
Certificate of Analysis | Jun 10, 2025 | N106144 |
| I2320310 |
Certificate of Analysis | Jun 10, 2025 | N106144 |
| A2206184 |
Certificate of Analysis | Jun 10, 2025 | N106144 |
| A2206181 |
Certificate of Analysis | Jun 10, 2025 | N106144 |
| A2206186 |
Certificate of Analysis | Oct 07, 2023 | N106144 |
| A2206183 |
Certificate of Analysis | Oct 07, 2023 | N106144 |
| B2512036 |
Certificate of Analysis | Sep 27, 2023 | N106144 |
| B2512037 |
Certificate of Analysis | Sep 27, 2023 | N106144 |
| E2508032 |
Certificate of Analysis | Sep 27, 2023 | N106144 |
| I2320321 |
Certificate of Analysis | Sep 27, 2023 | N106144 |
| A2206188 |
Certificate of Analysis | Sep 11, 2023 | N106144 |
| H2209686 |
Certificate of Analysis | Aug 26, 2022 | N106144 |
| D2307433 |
Certificate of Analysis | Aug 26, 2022 | N106144 |
| H2209682 |
Certificate of Analysis | Aug 24, 2022 | N106144 |
| H2209683 |
Certificate of Analysis | Aug 24, 2022 | N106144 |
| H2209684 |
Certificate of Analysis | Aug 24, 2022 | N106144 |
| H2209685 |
Certificate of Analysis | Aug 24, 2022 | N106144 |
| C2229002 |
Certificate of Analysis | Mar 29, 2022 | N106144 |
| E2006022 |
Certificate of Analysis | Feb 16, 2022 | N106144 |
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Chemical and Physical Properties
| Solubility | Soluble in Ether,Benzene,Acetone,Toluene |
|---|---|
| Sensitivity | Hygroscopic. |
| Flash Point(°F) | 215.6 °F - closed cup |
| Flash Point(°C) | 102℃ |
| Boil Point(°C) | 202-205°C（14kPa） |
| Melt Point(°C) | 73°C |
| Molecular Weight | 185.560 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 184.988 Da |
| Monoisotopic Mass | 184.988 Da |
| Topological Polar Surface Area | 62.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |
Citations of This Product
| 1. Jing Ye, Qinghua Li, Yushan Zhang, Qi Su, Zujian Feng, Pingsheng Huang, Chuangnian Zhang, Yinglei Zhai, Weiwei Wang. (2023) ROS scavenging and immunoregulative EGCG@Cerium complex loaded in antibacterial polyethylene glycol-chitosan hydrogel dressing for skin wound healing. Acta Biomaterialia, |
| 2. Ge Zhu, Haoji Lao, Feng Feng, Minyan Wang, Xingzhong Fang, Guofei Chen. (2022) Synthesis and characterization of poly(amide-imide)s with high Tg and low CTE derived from isomeric amide-containing diamines. EUROPEAN POLYMER JOURNAL, 179 (111558). |
| 3. Shengdao Wang, Shuwen Zhang, Yanchao Yang, Zhongxin Dong, Guibin Wang. (2022) Direct electrochemical grafting of crystalline PAEK macromolecule on carbon fiber to enhance the interfacial properties of PEEK/CF composites. COMPOSITES SCIENCE AND TECHNOLOGY, 220 (109262). |
| 4. Guangtao Qian, Fengna Dai, Haiquan Chen, Mengxia Wang, Mengjie Hu, Chunhai Chen, Youhai Yu. (2021) Polyimides with low coefficient of thermal expansion derived from diamines containing benzimidazole and amide: Synthesis, properties, and the N-substitution effect. JOURNAL OF POLYMER SCIENCE, 59 (6): (510-518). |
| 5. Guangtao Qian, Fengna Dai, Haiquan Chen, Mengxia Wang, Mengjie Hu, Chunhai Chen, Youhai Yu. (2021) Incorporation of N-phenyl in poly(benzimidazole imide)s and improvement in H2O-absorbtion and transparency. RSC Advances, 11 (6): (3770-3776). |
| 6. Shuangxiong Dai, Yudai Zhou, Haoli Zhang, Zhengxu Cai, Bin Tong, Jianbing Shi, Yuping Dong. (2020) Turn-on and color-switchable red luminescent liquid crystals based on pyrrolopyrrole derivatives. Journal of Materials Chemistry C, 8 (32): (11177-11184). |
| 7. Guangtao Qian, Haiquan Chen, Guangliang Song, Fengna Dai, Chunhai Chen, Jianan Yao. (2020) Superheat-resistant polyimides with ultra-low coefficients of thermal expansion. POLYMER, 196 (122482). |
| 8. Zhongda Wu, Yanting Du, Quan Zhou, Lianqing Chen. (2020) One pot solvothermal synthesis of novel fluorescent phloem-mobile phenylpyrazole amide pesticides fused olefin moieties to enhance insecticidal bioactivities and photodegradation properties. PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY, 163 (51). |
| 9. Yanhua Yang, Hang Lu, Juqing Liu, Yingzhong Shen. (2018) Synthesis and binary/ternary write-once read-many-times electrical memory behaviors of carbazole-based polyimides bearing flexible linkage segment. EUROPEAN POLYMER JOURNAL, 108 (10). |
| 10. Bo Jiang, Tong Zhang, Liwei Zhao, Zhiming Xu, Yudong Huang. (2017) Effect of Polymerizable Photoinitiators on the UV-polymerization behaviors of photosensitive polysiloxane. JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY, 55 (10): (1696-1705). |
| 11. Tianfu Wei, Gongke Li, Zhuomin Zhang. (2017) Rapid determination of trace semicarbazide in flour products by high-performance liquid chromatography based on a nucleophilic substitution reaction. JOURNAL OF SEPARATION SCIENCE, 40 (9): (1993-2001). |
| 12. Dongpeng Li, Zhao Ke, Ke Xu, Tao Li, Dandan Li, Wei Wang, Guangtao Qian, Chunhai Chen. (2024) Effect of benzene side groups on polyimide membranes containing spiro-bis-benzimidazole scaffold structures for gas separation. POLYMER, 314 (127764). |
| 13. Xian Qin, Li Zhu, Xuan An, Cheng Zhang, Jiawei Li, Fei Yan, Wenjin Zhang, Kai Qu, Kun Zhang, Wei Wu, Guicheng Wu. (2024) Hybrid cell membranes camouflaged copper-loaded nano-prodrug for tumor angiogenesis inhibition and cell cuproptosis. CHEMICAL ENGINEERING JOURNAL, 493 (152323). |
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