3 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 | 3-Fluorobenzoate | AE-562/40187179 | HY-W015753 | NSC 10320 | UNII-ELG54JFF34 | Benzoic acid, 3-fluoro- | FT-0615717 | m-Fluorobenzoic acid | DTXSID4060020 | NSC10320 | NSC-10320 | SY002150 | InChI=1/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10 | EINECS |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level5 Halobenzoic acids and derivatives
- Level6 Halobenzoic acids
- Level5 Halobenzoic acids and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
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 | 3-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 | 3-halobenzoic acid or derivatives - 3-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 |
|
|
|
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 | 488181063 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181063 |
| IUPAC Name | 3-fluorobenzoic acid |
| INCHI | InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey | MXNBDFWNYRNIBH-UHFFFAOYSA-N |
| Smiles | C1=CC(=CC(=C1)F)C(=O)O |
| Isomeric SMILES | C1=CC(=CC(=C1)F)C(=O)O |
| WGK Germany | 1 |
| Molecular Weight | 140.11 |
| Beilstein | 1906920 |
| Reaxy-Rn | 1906920 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906920&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 |
|---|---|---|---|
 F2506494 |
Certificate of Analysis | Jun 24, 2024 | F107118 |
| F2506495 |
Certificate of Analysis | Jun 24, 2024 | F107118 |
| L2404083 |
Certificate of Analysis | Jun 21, 2024 | F107118 |
| G2415150 |
Certificate of Analysis | Jun 21, 2024 | F107118 |
| G2415151 |
Certificate of Analysis | Jun 21, 2024 | F107118 |
| G2415152 |
Certificate of Analysis | Jun 21, 2024 | F107118 |
| G2415183 |
Certificate of Analysis | Jun 21, 2024 | F107118 |
| G2415184 |
Certificate of Analysis | Jun 21, 2024 | F107118 |
| G2415185 |
Certificate of Analysis | Jun 21, 2024 | F107118 |
| G2415186 |
Certificate of Analysis | Jun 21, 2024 | F107118 |
| C2327379 |
Certificate of Analysis | Feb 06, 2023 | F107118 |
| C2327381 |
Certificate of Analysis | Feb 06, 2023 | F107118 |
| C2327059 |
Certificate of Analysis | Feb 06, 2023 | F107118 |
| C2327380 |
Certificate of Analysis | Feb 06, 2023 | F107118 |
| C2327378 |
Certificate of Analysis | Feb 06, 2023 | F107118 |
| I1825127 |
Certificate of Analysis | Jul 21, 2022 | F107118 |
Show more⌵
Chemical and Physical Properties
| Solubility | Very soluble in water. |
|---|---|
| Melt Point(°C) | 121-125°C |
| Molecular Weight | 140.110 g/mol |
| XLogP3 | 2.200 |
| 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 | 136.000 |
| 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 |
Alternative Products
-
2-Bromo-3-fluorobenzoic AcidStarting at $29.90
-
4-Bromo-3-fluorobenzoic acid
Starting at $12.90
-
4-Chloro-3-fluorobenzoic acid
Starting at $12.90
-
2-Chloro-3-fluorobenzoic acid
Starting at $28.90
Citations of This Product
| 1. Meng Liu, Zhe-Yong Chen, Xiao-Hang He, Xing-Yu Liu, Hui-Ling Hu, Huan Tian, Yi Liu, Feng-Lei Jiang. (2023) Thermodynamics of Ligand Exchange with Aromatic Ligands on the Surface of CdSe Quantum Dots. CHEMISTRY OF MATERIALS, 35 (5): (1868–1876). |
| 2. Jia Lv, Bingwei He, Jingwen Yu, Yitong Wang, Changping Wang, Song Zhang, Hui Wang, Jingjing Hu, Qiang Zhang, Yiyun Cheng. (2018) Fluoropolymers for intracellular and in vivo protein delivery. BIOMATERIALS, 182 (167). |
| 3. Liu Hongmei, Chang Hong, Lv Jia, Jiang Cong, Li Zhenxi, Wang Fei, Wang Hui, Wang Mingming, Liu Chongyi, Wang Xinyu, Shao Naimin, He Bingwei, Shen Wanwan, Zhang Qiang, Cheng Yiyun. (2016) Screening of efficient siRNA carriers in a library of surface-engineered dendrimers. Scientific Reports, 6 (1): (1-11). |
Solution Calculators
Reviews
Customer Reviews
Remind me later