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B2309192Determine the necessary mass, volume, or concentration for preparing a solution.
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Basic Description
| Synonyms | SY001592 | Q63390495 | 4-flouro benzoic acid | InChI=1/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10 | 4-fluoro benzoic acid | C02371 | EN300-18213 | Benzoic acid, 4-fluoro- | D70922 | UNII-V5ROO2HOU4 | 4-Fluorobenzoicacid | F2191-0062 | para-Fluorobenzoi |
|---|---|
| Specifications & Purity | sublimed grade, ≥99% |
| Shipped In | Normal |
| Grade | sublimed grade |
| Product Description |
4-Fluorobenzoic acid has been used in high resolution charge density study |
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
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Subclass
Benzoic acids and derivatives
- Level5 Halobenzoic acids and derivatives
- Level6 Halobenzoic acids
- Level5 Halobenzoic acids and derivatives
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Subclass
Benzoic acids and derivatives
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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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 4-halobenzoic acids Benzoic acids Benzoyl derivatives Fluorobenzenes Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 4-halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. |
| External Descriptors | fluorobenzoic acid |
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Associated Targets(non-human)
Curvularia lunata (722 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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clpP
ATP-dependent Clp protease proteolytic subunit (245 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 | 504751893 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751893 |
| IUPAC Name | 4-fluorobenzoic acid |
| INCHI | InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey | BBYDXOIZLAWGSL-UHFFFAOYSA-N |
| Smiles | C1=CC(=CC=C1C(=O)O)F |
| Isomeric SMILES | C1=CC(=CC=C1C(=O)O)F |
| WGK Germany | 3 |
| Molecular Weight | 140.11 |
| Beilstein | 1906922 |
| Reaxy-Rn | 1906922 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906922&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Solubility | Soluble in alcohol, hot water, methanol, and ether. Very slightly soluble in cold water. |
|---|---|
| Sensitivity | Moisture sensitive. |
| Melt Point(°C) | 183-185°C |
| Molecular Weight | 140.110 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 140.027 Da |
| Monoisotopic Mass | 140.027 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 128.000 |
| 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. 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). |
Solution Calculators
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