Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
|
C153982-200mg
|
200mg |
3
|
$9.90
|
|
|
C153982-1g
|
1g |
3
|
$28.90
|
|
|
C153982-5g
|
5g |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
|
$85.90
|
|
| Synonyms | 6-Chloro-4-hydroxycoumarin, 97% | 6-Chloro-4-hydroxycumarine | AKOS015900200 | MFCD00239399 | J-012616 | 2H-1-Benzopyran-2-one,6-chloro-4-hydroxy- | 4-hydroxy-6-chloro-2H-chromen-2-one | 6-Chlor-4-oxy-cumarin | 6-chloro-4-hydroxy-2H-chromen-2-one | A18387 |
|---|---|
| Specifications & Purity | ≥97%(HPLC) |
| Shipped In | Normal |
| Product Description |
6-Chloro-4-hydroxycoumarin is a substituted 4-hydroxycoumarin. It participates in the Fe/Acetic acid (AcOH) catalyzed synthesis of various biologically active compounds. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Hydroxycoumarins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 4-hydroxycoumarins |
| Alternative Parents | 1-benzopyrans Pyranones and derivatives Benzenoids Aryl chlorides Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-hydroxycoumarin - Benzopyran - 1-benzopyran - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton. |
| External Descriptors | Not available |
|
|
|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Pubchem Sid | 504771369 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771369 |
| IUPAC Name | 6-chloro-4-hydroxychromen-2-one |
| INCHI | InChI=1S/C9H5ClO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H |
| InChIKey | HUMZENGQNOATEQ-UHFFFAOYSA-N |
| Smiles | C1=CC2=C(C=C1Cl)C(=CC(=O)O2)O |
| Isomeric SMILES | C1=CC2=C(C=C1Cl)C(=CC(=O)O2)O |
| WGK Germany | 3 |
| Molecular Weight | 196.59 |
| Reaxy-Rn | 1243180 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1243180&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 11, 2024 | C153982 | |
| Certificate of Analysis | Jun 06, 2024 | C153982 | |
| Certificate of Analysis | Jun 06, 2024 | C153982 | |
| Certificate of Analysis | Jun 06, 2024 | C153982 | |
| Certificate of Analysis | Jun 19, 2023 | C153982 | |
| Certificate of Analysis | Jun 16, 2023 | C153982 |
| Melt Point(°C) | 291°C |
|---|---|
| Molecular Weight | 196.580 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 195.993 Da |
| Monoisotopic Mass | 195.993 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 262.000 |
| 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 |