Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
Basic Description
| Synonyms | AM61552 | d-leucine t-butyl ester hydrochloride | AC-3932 | AB01330555-02 | 4-Chloro-2-fluorobenzoicacid | BP-11471 | Z104510482 | 3-fluoro-2-methylbenzenamine | MU5ZEU8Q5V | Benzoic acid, 4-chloro-2-fluoro- | NCGC00337421-01 | EINECS 207-162-3 | W-106184 |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
| Product Description |
Product Describtion: 4-Chloro-2-fluorobenzoic acid is a halogen benzoic acid. It is a non-liquid crystalline carboxylic acid derivative. It has been reported to form hydrogen bonded complexes with benzoylhydrazine-based azobenzene compound. Octanol/water partition coefficient Kow of 4-chloro-2-fluorobenzoic acid has been determined by shake-flask method. |
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 | 2-halobenzoic acids 4-halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Organic oxides Organochlorides Organooxygen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Halobenzoic acid - 4-halobenzoic acid - 2-halobenzoic acid - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - 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 | Not available |
|
|
|
Names and Identifiers
| Pubchem Sid | 488187164 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187164 |
| IUPAC Name | 4-chloro-2-fluorobenzoic acid |
| INCHI | InChI=1S/C7H4ClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11) |
| InChIKey | ZLPXBWMVZANJJQ-UHFFFAOYSA-N |
| Smiles | C1=CC(=C(C=C1Cl)F)C(=O)O |
| Isomeric SMILES | C1=CC(=C(C=C1Cl)F)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 174.56 |
| Beilstein | 973358 |
| Reaxy-Rn | 973358 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973358&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 |
|---|---|---|---|
 C1319073 |
Certificate of Analysis | Oct 10, 2024 | C120446 |
| C2506483 |
Certificate of Analysis | Jun 22, 2024 | C120446 |
| C2506536 |
Certificate of Analysis | Jun 22, 2024 | C120446 |
| G1915050 |
Certificate of Analysis | May 06, 2023 | C120446 |
| H2219118 |
Certificate of Analysis | Jun 18, 2022 | C120446 |
| C23211158 |
Certificate of Analysis | Jun 18, 2022 | C120446 |
| H2219390 |
Certificate of Analysis | Jun 18, 2022 | C120446 |
| H2219114 |
Certificate of Analysis | Jun 18, 2022 | C120446 |
Chemical and Physical Properties
| Melt Point(°C) | 203-206°C |
|---|---|
| Molecular Weight | 174.550 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 173.988 Da |
| Monoisotopic Mass | 173.988 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
Solution Calculators
Reviews
Customer Reviews
Remind me later