≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504767777 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767777 |
| Canonical Smiles | COC1=C(C=CC(=C1)Br)C(=O)OC |
| IUPAC Name | methyl 4-bromo-2-methoxybenzoate |
| InChIKey | WPGAGRPPDYAZAD-UHFFFAOYSA-N |
| INCHI | 1S/C9H9BrO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3 |
| Isomeric SMILES | COC1=C(C=CC(=C1)Br)C(=O)OC |
| WGK Germany | 3 |
| Molecular Weight | 245.07 |
| Reaxy-Rn | 2832249 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2832249&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Methoxybenzoic acids and derivatives |
| Direct Parent | O-methoxybenzoic acids and derivatives |
| Alternative Parents | Benzoic acid esters 4-halobenzoic acids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Methyl esters Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-methoxybenzoic acid or derivatives - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Methoxybenzene - Anisole - Phenol ether - Benzoyl - Phenoxy compound - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G1414027 | Certificate of Analysis | Oct 14, 2025 | M120992 |
| H2131413 | Certificate of Analysis | Jun 07, 2023 | M120992 |
| H2131414 | Certificate of Analysis | Jun 07, 2023 | M120992 |
| D2319557 | Certificate of Analysis | Sep 03, 2021 | M120992 |
| Solubility | Soluble in Toluene |
|---|---|
| Refractive Index | 1.58 |
| Flash Point(°F) | >230 °F |
| Flash Point(°C) | >110°(230°F) |
| Boil Point(°C) | 100-108°/0.1mm |
| Melt Point(°C) | 32-34°C |
| Molecular Weight | 245.070 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 243.974 Da |
| Monoisotopic Mass | 243.974 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| 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 |
