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Basic Description
| Synonyms | D94847 | LS-06283 | DTXSID30278972 | 4,5-Dibromo-1,2-benzenediol # | FT-0753508 | AKOS000266516 | SR-01000390077 | Benzen-1,2-diol, 4,5-dibromo- | 4,5-Dibromo-1,2-benzenediol | SR-01000390077-1 | J-016072 | 4,5-Dibromobenzene-1,2-diol, 90%, technical grad |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Phenols
- Subclass Benzenediols
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Class
Phenols
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Benzenediols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Catechols |
| Alternative Parents | P-bromophenols M-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Catechol - 4-halophenol - 3-halophenol - 4-bromophenol - 3-bromophenol - Bromobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organobromide - 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 |
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Names and Identifiers
| Pubchem Sid | 488188728 |
|---|---|
| IUPAC Name | 4,5-dibromobenzene-1,2-diol |
| INCHI | InChI=1S/C6H4Br2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H |
| InChIKey | IOZHUUKIHMKXRG-UHFFFAOYSA-N |
| Smiles | C1=C(C(=CC(=C1Br)Br)O)O |
| Isomeric SMILES | C1=C(C(=CC(=C1Br)Br)O)O |
| WGK Germany | 3 |
| Molecular Weight | 267.9 |
| Reaxy-Rn | 2439315 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2439315&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 |
|---|---|---|---|
 E23151069 |
Certificate of Analysis | Mar 29, 2023 | D333192 |
| E23151079 |
Certificate of Analysis | Mar 29, 2023 | D333192 |
| E23151090 |
Certificate of Analysis | Mar 29, 2023 | D333192 |
| E23151085 |
Certificate of Analysis | Mar 29, 2023 | D333192 |
| E23151077 |
Certificate of Analysis | Mar 29, 2023 | D333192 |
| E23151073 |
Certificate of Analysis | Mar 29, 2023 | D333192 |
| E23151087 |
Certificate of Analysis | Mar 29, 2023 | D333192 |
| E23151080 |
Certificate of Analysis | Mar 29, 2023 | D333192 |
Chemical and Physical Properties
| Refractive Index | n20D1.69 |
|---|---|
| Boil Point(°C) | 328.47° C at 760 mmHg |
| Melt Point(°C) | 111-116° C (lit.) |
| Molecular Weight | 267.900 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 267.856 Da |
| Monoisotopic Mass | 265.858 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 106.000 |
| 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 |
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