4-Bromophenylacetic acid #CAS1878-68-8
CAS Number:1878-68-8
Chemical Formula: C8H7BrO2
Synonyms:
4-bromo-benzeneaceticaci
4-Bromophenylacetic acid acid
Benzeneacetic acid, 4-bromo-
Appearance:Crystalline Powder,Almost white to light yellow-beige
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
4-Bromophenylacetic acid #CAS1878-68-8
Melting point (Mp): 114°C - 117°C (narrow melting range, forms regular crystals when highly pure). Boiling point (Bp): approximately 326.6°C (at 760 mmHg atmospheric pressure). Flash point: about 151.3°C. Density: approximately 1.62 g/cm³. Solubility: slightly soluble in water (very low solubility in cold water). Highly soluble in polar organic solvents such as anhydrous ethanol, methanol, acetone, and ethyl acetate. Soluble in chloroform and dichloromethane.
Stability: Physically and chemically stable under normal conditions (room temperature, atmospheric pressure). Conditions to avoid: exposure to strong light, high temperatures, and moisture. Incompatible substances (not to be stored together): strong oxidizing agents (e.g., potassium permanganate, potassium dichromate), strong alkalis (which may form salts and potentially cause hydrolysis), and strong reducing agents. Combustion products: when exposed to fire or high temperatures, releases toxic hydrogen bromide (HBr) gas, carbon monoxide, and carbon dioxide.4-Bromophenylacetic acid was used as standard in the extraction of nonylphenol polyethoxy carboxylates with 1-4 ethoxy groups from sludge samples.
Application of 4-Bromophenylacetic acid
It is a dual-functional aromatic organic intermediate with both carboxylic acid groups and active bromine atoms. It mainly exists in the form of white to light yellow crystalline powder, with a melting point ranging from 114 to 117 ℃. It is slightly soluble in cold water and easily soluble in polar organic solvents such as ethanol, acetone, and ethyl acetate. In the application field, due to the strong departure tendency of the ortho-bromine atom in its structure, it becomes a key component for constructing the biphenyl skeleton and extending the carbon chain in transition metal-catalyzed coupling reactions (such as Suzuki reaction and Heck reaction), and is widely used in the synthesis and development of non-steroidal anti-inflammatory drugs, anti-cancer targeting molecules, cardiovascular system drugs, and highly efficient and low-toxicity pesticide insecticides. At the same time, in analytical chemistry, it is often used as a sensitive precipitant for determining and separating trace transition metal zirconium (Zr) or a standard reference substance in environmental monitoring. During daily storage, it should avoid strong oxidants and strong bases, and be sealed and stored in a cool and dry place to prevent the release of toxic hydrogen bromide gas upon decomposition.
Bromophenylacetic acid is an important organic intermediate, which can be used in the synthesis of pesticides, medicines and organic polymers. Its applications in the fields of pesticides and medicines are particularly extensive.
| 4-Bromophenylacetic acid Chemical Properties |
| Melting point | 114-117 °C(lit.) |
| Boiling point | 252.95°C (rough estimate) |
| density | 1.5313 (rough estimate) |
| refractive index | 1.4620 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | ethanol: soluble5%, clear, colorless to light yellow |
| pka | pK1: 4.188 (25°C) |
| form | Crystalline Powder |
| color | Almost white to light yellow-beige |
| Water Solubility | SLIGHTLY SOLUBLE |
| BRN | 972146 |
| InChI | 1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | QOWSWEBLNVACCL-UHFFFAOYSA-N |
| SMILES | OC(=O)Cc1ccc(Br)cc1 |
| LogP | 2.310 |
| CAS DataBase Reference | 1878-68-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Bromophenylacetic acid(1878-68-8) |
| EPA Substance Registry System | 4-Bromophenylacetic acid (1878-68-8) |
| Safety Information |
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 37/39-26-26/37/39-24/25 |
| WGK Germany | 3 |
| RTECS | AF6325000 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
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