4-BROMO-3-CHLOROBENZOIC ACID
3-chloro-4-Bromor-benzoic acid
CAS: 25118-59-6
Molecular Formula: C7H4BrClO2
4-BROMO-3-CHLOROBENZOIC ACID - Names and Identifiers
| Name | 3-chloro-4-Bromor-benzoic acid |
| Synonyms | 4-BROMO-3-CHLOROBENZOIC ACID 4-bromo-3-chlorobenzoic acid 3-chloro-4-Bromor-benzoic acid 3-chloro-4-Bromor-benzoic acid Benzoic acid, 4-bromo-3-chloro- 3-Chloride-4-Bromine Benzoic Acids |
| CAS | 25118-59-6 |
| InChI | InChI=1/C7H4BrClO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11) |
| InChIKey | PSKJIHDVFDVNBU-UHFFFAOYSA-N |
4-BROMO-3-CHLOROBENZOIC ACID - Physico-chemical Properties
| Molecular Formula | C7H4BrClO2 |
| Molar Mass | 235.46 |
| Density | 1.809±0.06 g/cm3 (20 ºC 760 Torr) |
| Melting Point | 220-224 °C |
| Boling Point | 333.7±27.0 °C(Predicted) |
| Flash Point | 155.6°C |
| Vapor Presure | 5.32E-05mmHg at 25°C |
| Appearance | Solid |
| pKa | 3.60±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.621 |
| MDL | MFCD08276864 |
4-BROMO-3-CHLOROBENZOIC ACID - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
| Packing Group | Ⅲ |
4-BROMO-3-CHLOROBENZOIC ACID - Reference Information
| application | 4-bromo -3-chlorobenzoic acid can be used as an intermediate in pharmaceutical and chemical synthesis. If the following compounds can be synthesized: N-methoxymethylamine (1.43g,23.34mmol), 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (4.16g,25.48mmol) are added to the stirring dichloromethane (50ml) solution of 4-bromo-3-chlorobenzoic acid (5.0g,21.2mmol), 7-aza-1-hydroxybenzotriazole (590mg,4.25mmol) and N-ethyldiisopropylamine (7.42ml,42.5mmol). The mixture is then allowed to react overnight at room temperature. Add 100ml of ethyl acetate and 100ml of water. The organic phase was washed once with saturated sodium bicarbonate solution (50ml). The organic phase is then concentrated under reduced pressure. The crude product was purified by rapid chromatography to yield 5.91g 4-bromo-3-chloro-N-methoxy-N-methyl-benzamide. |
Last Update：2024-04-10 22:29:15
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