≥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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181351 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181351 |
| Canonical Smiles | C1=CC(=CC=C1C(=O)O)Br |
| IUPAC Name | 4-bromobenzoic acid |
| InChIKey | TUXYZHVUPGXXQG-UHFFFAOYSA-N |
| INCHI | 1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
| Isomeric SMILES | C1=CC(=CC=C1C(=O)O)Br |
| WGK Germany | 3 |
| RTECS | DG4448050 |
| Molecular Weight | 201.02 |
| Beilstein | 1906923 |
| Reaxy-Rn | 1906923 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906923&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 | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 4-halobenzoic acids Benzoic acids Benzoyl derivatives Bromobenzenes Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 4-halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. |
| External Descriptors | bromobenzoic acid |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2309062 | Certificate of Analysis | Sep 03, 2026 | B104344 |
| G2627016 | Certificate of Analysis | Jul 31, 2026 | B104344 |
| G2627017 | Certificate of Analysis | Jul 31, 2026 | B104344 |
| B2313010 | Certificate of Analysis | Jul 30, 2026 | B104344 |
| L2024184 | Certificate of Analysis | Apr 15, 2026 | B104344 |
| J2215138 | Certificate of Analysis | Apr 02, 2026 | B104344 |
| D2401051 | Certificate of Analysis | Jan 19, 2026 | B104344 |
| D2401032 | Certificate of Analysis | Jan 19, 2026 | B104344 |
| D2511365 | Certificate of Analysis | Apr 15, 2025 | B104344 |
| B2323553 | Certificate of Analysis | Nov 15, 2024 | B104344 |
| A2303369 | Certificate of Analysis | Oct 18, 2024 | B104344 |
| J2513232 | Certificate of Analysis | Jul 02, 2024 | B104344 |
| J2513200 | Certificate of Analysis | Jul 02, 2024 | B104344 |
| J2513231 | Certificate of Analysis | Jul 02, 2024 | B104344 |
| L2114087 | Certificate of Analysis | Sep 20, 2023 | B104344 |
| L2114103 | Certificate of Analysis | Sep 20, 2023 | B104344 |
| L2114102 | Certificate of Analysis | Sep 20, 2023 | B104344 |
| L2114104 | Certificate of Analysis | Sep 20, 2023 | B104344 |
| L2114101 | Certificate of Analysis | Sep 13, 2023 | B104344 |
| H2109291 | Certificate of Analysis | May 10, 2023 | B104344 |
| H2109294 | Certificate of Analysis | May 10, 2023 | B104344 |
| H2109293 | Certificate of Analysis | May 10, 2023 | B104344 |
| H2109292 | Certificate of Analysis | May 10, 2023 | B104344 |
| L1715069 | Certificate of Analysis | May 08, 2023 | B104344 |
| L2024183 | Certificate of Analysis | Oct 19, 2022 | B104344 |
| Solubility | Slightly soluble in hot water. Soluble in alcohol and ether. |
|---|---|
| Sensitivity | Moisture sensitive. |
| Melt Point(°C) | 251-253°C |
| Molecular Weight | 201.020 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 199.947 Da |
| Monoisotopic Mass | 199.947 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 128.000 |
| 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 |
| 1. Siyuan Chang, Sen Zhang, Tianyi Chen, Lei Xu, Sumin Ge, Bingfeng Li, Chenke Yun, Guoxin Zhang, Xuejun He, Xin Pan. (2023) Efficient synthesis of 5-hydroxymethyl-2-furancarboxylic acid from bio-based high-concentration 5-hydroxymethylfurfural via highly tolerant aldehyde dehydrogenase. Molecular Catalysis, [PMID:] [10.1016/j.mcat.2023.112966] |
| 2. Chun-rong Zhu, Jia-ping Xie, Hong-rong Mou, Zhen-jie Huang, Qian Tang, Cheng-bin Gong, Xiang-kai Fu. (2019) Dual-colored 4,4′,4′′,4′′′-(cyclobutane-1,2,3,4-tetrayl)-tetrabenzoate electrochromic materials with large optical contrast and coloration efficiency. NEW JOURNAL OF CHEMISTRY, 43 (34): (13654-13661). [PMID:] [10.1039/C9NJ03352A] |
| 3. Qiao An, Zifeng Li, Robert Graff, Jia Guo, Haifeng Gao, Changchun Wang. (2015) Core-Double-Shell Fe3O4@Carbon@Poly(InIII-carboxylate) Microspheres: Cycloaddition of CO2 and Epoxides on Coordination Polymer Shells Constituted by Imidazolium-Derived AlIII–Salen Bifunctional Catalysts. ACS Applied Materials & Interfaces, [PMID:25674936] [10.1021/acsami.5b00066] |
| 4. Zhengyu Yang, Jianmin Li, Yubin Wang, Mengyao Shi, Jide Wang, Changyan Guo. (2025) CO2 fixation for the synthesis of cyclic carbonates using Br-ZIF-L with enriched defects. FUEL, [PMID:] [10.1016/j.fuel.2025.134701] |
