936-08-3
2-Bromo-4-chlorobenzoic acid
CAS: 936-08-3
Molecular Formula: C7H4BrClO2
936-08-3 - Names and Identifiers
936-08-3 - Physico-chemical Properties
| Molecular Formula | C7H4BrClO2 |
| Molar Mass | 235.46 |
| Density | 1.809±0.06 g/cm3(Predicted) |
| Melting Point | 157-161 °C |
| Boling Point | 326.5±27.0 °C(Predicted) |
| Appearance | Solid |
| pKa | 2.62±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| MDL | MFCD00672930 |
936-08-3 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R50 - Very Toxic to aquatic organisms R34 - Causes burns R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2928 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | Ⅲ |
936-08-3 - Reference Information
| use | 2-bromo -4-chlorobenzoic acid is used in the production of medicine, dye carriers, plasticizers, spices and food preservatives, and is also used for the performance improvement of alkyd resin coatings. It can also be used for antifungal and antiseptic, as chemical reagents and preservatives. 2-Bromo-4-chlorobenzoic acid is often used as a fixative or preservative. It is also used as a fragrance-retaining agent for fruit juice drinks. It can also be used in chocolate, lemon, orange, berry, nut, candied fruit and other edible flavors. |
| synthesis method | crude acid (11a or 12a;1.0g) is dissolved in concentrated H2SO4(10 cm3), stirred for 5 h, and poured into 50 cm3 ice water. The product was separated and washed with 5% Na2CO3 solution. The crude anthrone was dissolved in 30 cm3 of acetic acid. Add 2.00g of K2Cr2O7 saturated aqueous solution and heat the mixture to 90°C for 1 hour. After cooling, the mixture is poured into 200 cm3 of water. The separated solids were filtered, chromatographed on a silica gel column (benzene, then chloroform), and then purified by crystallization to give 2-bromo-4-chlorobenzoic acid. 13, yield (85.2%). M, p.156-158°C, formula:(C7H4BrClO2), analysis result (%):C 35.51,H 1.80, nuclear magnetic carbon spectrum data: C(35.71),H(1.71). Infrared data: IR(cm-1):3100(OH)1705(C = 0);1H nuclear magnetic resonance δH(200 MHz, dimethyl sulfoxide-d6)= 13.5(br s,1 H,COOH),7.88(d,1 H,J = 2.1Hz,3-A r-H),7.78(d,1 H,J = 8.4Hz,5-Ar-H),7.57(dd,1 H, j1 = 2.1Hz,J2 = 8.3Hz, 6-ar-h ") ppm. Figure 2-Bromo-4-chlorobenzoic acid synthesis route |
Last Update：2024-04-09 20:45:29
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