5-bromo-2-Methyl Benzoic Acid
2-METHYL-5-BROMOBENZOIC ACID
CAS: 79669-49-1
Molecular Formula: C8H7BrO2
5-bromo-2-Methyl Benzoic Acid - Names and Identifiers
| Name | 2-METHYL-5-BROMOBENZOIC ACID |
| Synonyms | 2-METHYL-5-BROMOBENZOIC ACID 5-BROMO-2-METHYLBENZOIC ACID 5-bromo-2-Methyl Benzoic Acid 5-Bromo-2-Methyl-Benzoic Acid 5 - broMine - 2 - Methyl benzoic acid 5-Bromo-o-toluic acid, 4-Bromo-2-carboxytoluene 2,3,4,6-tetrakis-O-triMethylsilyl-D-guluconolactone |
| CAS | 79669-49-1 |
| EINECS | 628-605-0 |
| InChI | InChI=1/C8H7BrO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11) |
| InChIKey | SEENCYZQHCUTSB-UHFFFAOYSA-N |
5-bromo-2-Methyl Benzoic Acid - Physico-chemical Properties
| Molecular Formula | C8H7BrO2 |
| Molar Mass | 215.04 |
| Density | 1.599±0.06 g/cm3(Predicted) |
| Melting Point | 167-171°C |
| Boling Point | 319.4±30.0 °C(Predicted) |
| Flash Point | 147°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.000141mmHg at 25°C |
| Appearance | Crystalline powder |
| Color | White to Almost white |
| pKa | 3.48±0.25(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.595 |
| MDL | MFCD00267350 |
5-bromo-2-Methyl Benzoic Acid - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
| Packing Group | Ⅲ |
5-bromo-2-Methyl Benzoic Acid - Reference Information
| Use | 2-methyl-5-bromobenzoic acid is a pharmaceutical intermediate, it has been reported in the literature that it can be used to prepare canagliflozin. |
| preparation | with 2-methylbenzoic acid as the starting material, under the action of metal reagent Fe powder and superstrong acid catalyst triflic acid, the intermediate 2-methyl-5-bromobenzoic acid was synthesized by adding liquid bromine with a molar ratio of 1.05, and the solvent liquid bromine was pretreated with absolute anhydrous molecular sieve. The yield was above 85%. |
Last Update：2024-04-09 19:05:15
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