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4-Bromobenzoic Acid
| Catalog Number | ACM586765 |
| CAS | 586-76-5 |
| Structure | ![{[CurrentData.Name]}](https://resource.alfa-chemistry.com/structure/586-76-5.gif) |
| IUPAC Name | 4-bromobenzoic acid |
| Molecular Weight | 201.02 |
| Molecular Formula | C7H5BrO2 |
| Canonical SMILES | C1=CC(=CC=C1C(=O)O)Br |
| InChI | InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
| InChI Key | TUXYZHVUPGXXQG-UHFFFAOYSA-N |
| Melting Point | 255 °C |
| Purity | >98.0%(GC)(T) |
| Solubility | 2.98e-04 M |
| Appearance | White to Light yellow powder to crystal |
| Complexity | 128 |
| Covalently-Bonded Unit Count | 1 |
| EC Number | 209-581-7 |
| Exact Mass | 199.94729g/mol |
| Hazard Statements | H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation. |
| Heavy Atom Count | 10 |
| Log P | 2.86 (LogP) |
| MDL Number | MFCD00002529 |
| Monoisotopic Mass | 199.94729g/mol |
| NSC Number | 17582 |
| Rotatable Bond Count | 1 |
| UNII | 6992P6102O |
| Vapor Pressure | 9.95e-06 mmHg |
| X Log P3 | 2.9 |
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