Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
Basic Description
| Synonyms | TETRABROMOCATECHOL | 1, 3,4,5,6-tetrabromo- | 3,4,5,6-Tetrabromo-1,2-benzenediol | UNII-N642CPH23M | EINECS 207-678-9 | CS-0206808 | 4-06-00-05624 (Beilstein Handbook Reference) | FT-0614121 | SCHEMBL985158 | MFCD00002189 | NSC 36929 | 3,4,5,6-tetrabromob |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass Benzenediols
-
Class
Phenols
-
Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Benzenediols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Catechols |
| Alternative Parents | P-bromophenols O-bromophenols M-bromophenols Bromobenzenes Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Catechol - 4-halophenol - 4-bromophenol - 3-halophenol - 2-halophenol - 3-bromophenol - 2-bromophenol - Bromobenzene - Halobenzene - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety. |
| External Descriptors | Not available |
|
|
|
Associated Targets(Human)
CA2
Tclin
Carbonic anhydrase II (17698 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CA6
Tclin
Carbonic anhydrase VI (993 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CA1
Tclin
Carbonic anhydrase I (13240 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
DLD-1 (17511 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
CA4
Carbonic anhydrase IV (1713 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 | 488183441 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183441 |
| IUPAC Name | 3,4,5,6-tetrabromobenzene-1,2-diol |
| INCHI | InChI=1S/C6H2Br4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H |
| InChIKey | OAUWOBSDSJNJQP-UHFFFAOYSA-N |
| Smiles | C1(=C(C(=C(C(=C1Br)Br)Br)Br)O)O |
| Isomeric SMILES | C1(=C(C(=C(C(=C1Br)Br)Br)Br)O)O |
| WGK Germany | 3 |
| RTECS | UX2430000 |
| PubChem CID | 61127 |
| UN Number | 3077 |
| Packing Group | III |
| Molecular Weight | 425.69 |
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 |
|---|---|---|---|
 B2507407 |
Certificate of Analysis | Dec 26, 2024 | T344694 |
| B2507408 |
Certificate of Analysis | Dec 26, 2024 | T344694 |
| B2308551 |
Certificate of Analysis | Nov 25, 2022 | T344694 |
| B2308548 |
Certificate of Analysis | Nov 25, 2022 | T344694 |
| B2308553 |
Certificate of Analysis | Nov 25, 2022 | T344694 |
| B2308552 |
Certificate of Analysis | Nov 25, 2022 | T344694 |
Chemical and Physical Properties
| Solubility | It is partly miscible with water. |
|---|---|
| Melt Point(°C) | 189-193° C (lit.) |
| Molecular Weight | 425.690 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 425.675 Da |
| Monoisotopic Mass | 421.679 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 150.000 |
| 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