26 Citations
Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
Basic Description
| Synonyms | 4-fluoro benzaldehyde | N8681893GA | FT-0618504 | STK801571 | CAS-459-57-4 | InChI=1/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5 | AKOS000118950 | 4-flouro benzaldehyde | 4fluorobenzaldehyde | 4-Fluorobenzaldehyde | 4-fluoro-benzaldehy-de | 4-fluorobenz-aldehyde | W |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Argon charged |
| Shipped In | Normal |
| Product Description |
Usually used in the preparation of pyrazolopyridine UR-13756. |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoyl derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Benzaldehydes Fluorobenzenes Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoyl - Benzaldehyde - Aryl-aldehyde - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aldehyde - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | Not available |
|
|
|
Associated Targets(Human)
SLC6A1
Tclin
GABA transporter 1 (308 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
B16-F10 (4610 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488184072 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184072 |
| IUPAC Name | 4-fluorobenzaldehyde |
| INCHI | InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H |
| InChIKey | UOQXIWFBQSVDPP-UHFFFAOYSA-N |
| Smiles | C1=CC(=CC=C1C=O)F |
| Isomeric SMILES | C1=CC(=CC=C1C=O)F |
| WGK Germany | 2 |
| UN Number | 1989 |
| Molecular Weight | 124.11 |
| Beilstein | 385857 |
| Reaxy-Rn | 385857 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385857&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 |
|---|---|---|---|
 D2312277 |
Certificate of Analysis | Jan 15, 2025 | F109178 |
| J2217497 |
Certificate of Analysis | Jul 09, 2024 | F109178 |
| D2411453 |
Certificate of Analysis | Mar 23, 2024 | F109178 |
| D2411454 |
Certificate of Analysis | Mar 23, 2024 | F109178 |
| A2423218 |
Certificate of Analysis | Jan 26, 2024 | F109178 |
| A2423219 |
Certificate of Analysis | Jan 26, 2024 | F109178 |
| A2423220 |
Certificate of Analysis | Jan 26, 2024 | F109178 |
| A2405038 |
Certificate of Analysis | Jan 12, 2024 | F109178 |
| F2104320 |
Certificate of Analysis | Mar 10, 2023 | F109178 |
| F2104319 |
Certificate of Analysis | Mar 10, 2023 | F109178 |
| F2104321 |
Certificate of Analysis | Mar 10, 2023 | F109178 |
| J2217494 |
Certificate of Analysis | Sep 15, 2022 | F109178 |
| J2217610 |
Certificate of Analysis | Sep 15, 2022 | F109178 |
| H2020113 |
Certificate of Analysis | Jun 17, 2022 | F109178 |
| H2020111 |
Certificate of Analysis | Jun 17, 2022 | F109178 |
Show more⌵
Chemical and Physical Properties
| Sensitivity | air sensitive |
|---|---|
| Refractive Index | 1.52 |
| Flash Point(°F) | 132.8 °F |
| Flash Point(°C) | 56℃ |
| Boil Point(°C) | 179-181°C |
| Melt Point(°C) | -10°C |
| Molecular Weight | 124.110 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 124.032 Da |
| Monoisotopic Mass | 124.032 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 95.100 |
| 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. Xuemei Tian,Suoqin Zhang,Liangyu Zheng. (2016-02-02) First Novozym 435 lipase-catalyzed Morita-Baylis-Hillman reaction in the presence of amides.. Enzyme and microbial technology, 84 (32-40). |
| 2. Qiushuang Li, Bing Zhao, Xiangdong Kong, Liyan Wang, Wei Kan, Bo Song, Rui Yu, Pengfei Zhang. (2024) Multi-responsive fluorescent covalent organic framework based on phenanthro[9,10-d]imidazole moiety for relayed detection of Cu2+/Al3+ followed by PO43− and its applications. DYES AND PIGMENTS, 222 (111886). |
| 3. Yuqin Wei, Long Zhao, Yongdi Liang, Mingcai Yuan, Qijie Wu, Zhaoli Xue, Xinping Qiu, Jianming Zhang. (2023) Enhanced cobalt porphyrin-catalytic oxygen reduction reactions by introducing benzoyloxy substitutes. CHEMICAL ENGINEERING JOURNAL, 476 (146575). |
| 4. Shi Zhou, Yiting Zhu, Haoran Hu, Chenghan Li, Jie Jiang, Jianyu Huang, Biao Zhang. (2023) Tuning the LiF content in the SEI by engineering the molecular structures of porous organic polymers for solid-state lithium metal batteries. Journal of Materials Chemistry A, 11 (11): (5636-5644). |
| 5. Siyuan Chang, Sen Zhang, Tianyi Chen, Lei Xu, Sumin Ge, Bingfeng Li, Chenke Yun, Guoxin Zhang, Xuejun He, Xin Pan. (2023) Efficient synthesis of 5-hydroxymethyl-2-furancarboxylic acid from bio-based high-concentration 5-hydroxymethylfurfural via highly tolerant aldehyde dehydrogenase. Molecular Catalysis, 538 (112966). |
| 6. Shuang-Qiang Liu, Zhi-Chen Mao, Yan-Li Xu, Xiao-Man Chen, Hui-Ling Wang, Qi Wang, Jian-Hua Wei, Ri-Zhen Huang, Ye Zhang. (2023) Discovery of two biotin-PEG4‑diarylidenyl piperidone prodrugs as potent antitumor agents with good efficacy, limited toxicity, and low resistance. BIOORGANIC CHEMISTRY, 131 (106323). |
| 7. Xiaoqing Yuan, Ju Liu, Yanlei Wang, Xingming Jie, Jingyu Qin, Hongyan He. (2023) Ionic liquids enable highly efficient Knoevenagel reaction by dual-responsive emulsion microreactor. CHEMICAL ENGINEERING JOURNAL, 451 (138941). |
| 8. Zhaoxian Tang, Yanjing Gao, Shengling Jiang, Jun Nie, Fang Sun. (2022) Cinnamoylformate derivatives photoinitiators with excellent photobleaching ability and cytocompatibility for visible LED photopolymerization. PROGRESS IN ORGANIC COATINGS, 170 (106969). |
| 9. Yan Chen, Zhao Mo, Xingtong Zhu, Qingxiang Xu, Zhaoli Xue, Henan Li, Hui Xu, Long Zhao. (2021) Facilitated interfacial charge separation using triphenylamine-zinc porphyrin dyad-sensitized TiO2 nanoparticles for photocatalysis. JOURNAL OF ALLOYS AND COMPOUNDS, 889 (161795). |
| 10. Xiaoyan Pei, Jiang Liu, Weihao Rao, Xiantao Ma, Zhiyong Li. (2021) CO2-Switchable Reversible Phase Transfer of Carbon Dots. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 60 (25): (9296–9303). |
| 11. Long Zhao, Qingxiang Xu, Zhiwen Shao, Yan Chen, Zhaoli Xue, Henan Li, Jianming Zhang. (2020) Enhanced Oxygen Reduction Reaction Performance Using Intermolecular Forces Coupled with More Exposed Molecular Orbitals of Triphenylamine in Co-porphyrin Electrocatalysts. ACS Applied Materials & Interfaces, 12 (41): (45976–45986). |
| 12. Zhu Anlian, Li Qixing, Feng Wanlu, Fan Dongshuang, Li Lingjun. (2021) Biocompatible Ionic Liquid Promote One-Pot Synthesis of 2-Amino-4H-Chromenes Under Ambient Conditions. CATALYSIS LETTERS, 151 (3): (720-733). |
| 13. Lu Yan, Chang Zhaosen, Zhang Shizhen, Wang Shunli, Chen Qi, Feng Lijuan, Sui Zhuyin. (2020) Porous organic polymers containing zinc porphyrin and phosphonium bromide as bifunctional catalysts for conversion of carbon dioxide. JOURNAL OF MATERIALS SCIENCE, 55 (26): (11856-11869). |
| 14. Xiaoji Cao, Mei Fang, Danqi Dong, Beibei Ye, Jiahui Xu, Xuemin Ye, Weimin Mo. (2020) Dispersive liquid–liquid extraction based on magnetic Pickering emulsion followed by gas chromatography–tandem mass spectrometry for the simultaneous determination of aldehydes in environmental water samples. JOURNAL OF SEPARATION SCIENCE, 43 (12): (2401-2408). |
| 15. Lianqing Chen, Zhongda Wu, Yanting Du, Yufeng Huang, Shiwei Jin. (2019) Solvothermal synthesis of novel phenylpyrazole Schiff base fluorescent insecticides fused extended conjugate units for enhancing bioactivities, photophysical and electrochemical properties. JOURNAL OF MOLECULAR STRUCTURE, 1196 (555). |
| 16. Geng Yang, Xia Meng, Shimin Fang, Hongdong Duan, Lizhen Wang, Zhenzheng Wang. (2019) A highly selective colorimetric fluorescent probe for detection of Hg2+ and its application on test strips. RSC Advances, 9 (15): (8529-8536). |
| 17. Wang Fanwei, Duan Hongdong, Xing Dianxiang, Yang Geng. (2017) Novel Turn-on Fluorescence Probes for Al3+ Based on Conjugated Pyrazole Schiff Base. JOURNAL OF FLUORESCENCE, 27 (5): (1721-1727). |
| 18. Xiang-Lan Wang, Yuan-Xia Li, Shuai-Liang Yang, Chen-Xi Zhang, Qing-Lun Wang. (2017) Two copper complexes based on nitronyl nitroxide with different halides: structures and magnetic properties. JOURNAL OF COORDINATION CHEMISTRY, |
| 19. Yuanyuan Yue, Qiao Dong, Yajie Zhang, Xiaoge Li, Xuyang Yan, Yahui Sun, Jianming Liu. (2016) Synthesis of imidazole derivatives and the spectral characterization of the binding properties towards human serum albumin. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 153 (688). |
| 20. Benlin Hu, Fei Zhuge, Xiaojian Zhu, Shanshan Peng, Xinxin Chen, Liang Pan, Qing Yan, Run-Wei Li. (2011) Nonvolatile bistable resistive switching in a new polyimide bearing 9-phenyl-9H-carbazole pendant. JOURNAL OF MATERIALS CHEMISTRY, 22 (2): (520-526). |
| 21. Tianyu Li, Shiyang Yi, Wenjie Sun, Yujie Liang, Hong Zheng, Zhongqi Guo, Yonghong Cheng, Lei Zhang. (2024) Constructing fluorinated triphenyl in carbonate copolymers toward flexible high energy-storable dielectric films with enhanced thermal resistance. Nano Energy, 130 (110105). |
| 22. Wen-Jun Lu, Ying-Yi Zhao, Bai-Wang Sun. (2024) Nitrogen-rich nonporous covalent organic polymers for highly efficient and reversible iodine capture. JOURNAL OF SOLID STATE CHEMISTRY, 336 (124724). |
| 23. Can Zhang, Pingping Zhang, Wenyuan Zhu, Shuo Li, Yue Gu, Jing Wu, Di Wen, Weili Hao, Ke Wang, Ling Ma, Kaoqi Lian. (2024) Preparation of magnetic cationic Schiff base polymeric material for highly selective enrichment of avermectins from surface water and milk samples. JOURNAL OF CHROMATOGRAPHY A, 1731 (465169). |
| 24. Wenjie Ren, Xinchao Shang, Yan Lin, Hao Ren, Linchen Zhang, Hang Su, Qi Li, Linjie Zhi, Mingbo Wu, Zhongtao Li. (2024) Regulating Interfacial Li Deposition at Low-Temperature through Eliminating Li+ Transfer Mismatching by Artificial Modifying the Interface in Solid State Battery. Advanced Energy Materials, (2405284). |
| 25. Hong Tu, Bihong Tian, Zhichao Zhao, Renjiang Guo, Ya Wang, Shunhong Chen, Jian Wu. (2025) Research on the influence of g-C3N4 microstructure changes on the efficiency of visible light photocatalytic degradation. Water Research X, 28 (100315). |
| 26. Yu Zhu, Ying Wang, Huimin Zhao, Jinli Wei, Haoyuan Chen, Maroosha Javed, Linghua Zhuang, Guowei Wang. (2025) Synthesis, antioxidant activity, DFT simulations, molecular docking studies of Schiff base derivatives containing 2-(2-hydrazinyl) thiazole moiety. JOURNAL OF MOLECULAR STRUCTURE, 1336 (142150). |
Solution Calculators
Reviews
Customer Reviews
Remind me later