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Basic Description
| Synonyms | 3-BROMO-2-METHYLPHENOL | 7766-23-6 | 3-Bromo-2-methyl phenol | MFCD11100990 | Phenol, bromo-2-methyl- | 3-bromocresol | 2-Methyl-3-bromphenol | SCHEMBL165287 | WPDXAMRGYMDTOV-UHFFFAOYSA-N | DTXSID301346648 | AMY31748 | CL8471 | AKOS006307133 | CS-W005698 | GS-4156 | MB09253 | AC-28524 | S |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Cresols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ortho cresols |
| Alternative Parents | M-bromophenols Toluenes Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-halophenol - 3-bromophenol - O-cresol - Bromobenzene - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488197242 |
|---|---|
| IUPAC Name | 3-bromo-2-methylphenol |
| INCHI | InChI=1S/C7H7BrO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3 |
| InChIKey | WPDXAMRGYMDTOV-UHFFFAOYSA-N |
| Smiles | CC1=C(C=CC=C1Br)O |
| Isomeric SMILES | CC1=C(C=CC=C1Br)O |
| Molecular Weight | 187.03 |
| Reaxy-Rn | 2500470 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2500470&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 |
|---|---|---|---|
 H2303241 |
Certificate of Analysis | Jul 18, 2023 | B186587 |
| H2303233 |
Certificate of Analysis | Jul 18, 2023 | B186587 |
| H2303289 |
Certificate of Analysis | Jul 18, 2023 | B186587 |
| H2303240 |
Certificate of Analysis | Jul 18, 2023 | B186587 |
| H2303236 |
Certificate of Analysis | Jul 18, 2023 | B186587 |
| H2303234 |
Certificate of Analysis | Jul 18, 2023 | B186587 |
Chemical and Physical Properties
| Molecular Weight | 187.030 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 185.968 Da |
| Monoisotopic Mass | 185.968 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 94.900 |
| 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
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