2-Bromo-6-methylbenzoic acid
2-Bromo-6-methylbenzoic acid
CAS: 90259-31-7
Molecular Formula: C8H7BrO2
2-Bromo-6-methylbenzoic acid - Names and Identifiers
| Name | 2-Bromo-6-methylbenzoic acid |
| Synonyms | 6-Bromo-o-toluic acid 2-BROMO-6-METHYLBENZOIC ACID 2-Bromo-6-methylbenzoic acid Benzoic acid, 2-bromo-6-methyl- 3-Bromo-2-carboxytoluene, 6-Bromo-o-toluic acid |
| CAS | 90259-31-7 |
| InChI | InChI=1/C8H7BrO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11) |
2-Bromo-6-methylbenzoic acid - Physico-chemical Properties
| Molecular Formula | C8H7BrO2 |
| Molar Mass | 215.04 |
| Density | 1.599±0.06 g/cm3(Predicted) |
| Melting Point | 108-112°C |
| Boling Point | 307.0±30.0 °C(Predicted) |
| Flash Point | 139.495°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | Crystallization |
| Color | White to Light yellow |
| BRN | 2614094 |
| pKa | 2.56±0.31(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.595 |
| MDL | MFCD01310788 |
| Physical and Chemical Properties | 2-Bromo-6-methylbenzoic acid is solid at room temperature and pressure. In organic synthesis and transformation, the bromine atom at position 2 of the benzene ring can be converted into aryl or alkyl groups by Suzuki coupling, and can also be converted into boron units by borylation reaction. The carboxyl group in the structure can be converted into hydroxyl group under the reduction of borane, and converted into ester group under acidic or alkaline conditions. |
2-Bromo-6-methylbenzoic acid - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| 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. S37 - Wear suitable gloves. |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
| Packing Group | Ⅲ |
2-Bromo-6-methylbenzoic acid - Reference Information
| Use | 2-bromo-6-methylbenzoic acid belongs to benzoic acid derivatives, which are mainly used as intermediates in organic synthesis and medicinal chemistry, can be used for the preparation of preservatives, dyes, fungicides and spices. |
| synthetic method | 2-amino-6-methoxybenzoic acid (2.01G) was dissolved in acetic acid, in a mixed solution of hydrobromic acid (48% of H2O) and water, the mixture is cooled with saturated sodium chloride in an ice-water bath, an aqueous solution of NaNO2 (1 equivalent) was slowly added dropwise to the reaction system, and then the mixture was stirred at 0 degrees for 2.5-3 hours, and the resulting diazonium salt was cooled still at 0 degrees. A solution of cuprous bromide (1 equiv.) in HBr(48% of H2O, 0.5mL per mmoltubr) was added at room temperature, and the mixture was stirred at 65 degrees for 2.5-3 hours, the mixture was diluted with water, and the reaction mixture was extracted with ethyl acetate three times. The organic layer was separated by washing with brine, the organic layer was dried with anhydrous sodium sulfate, and the sodium sulfate solid was removed by filtration, the resulting filtrate was concentrated under vacuum to remove the solvent to obtain the target molecule 2-bromo-6-methylbenzoic acid. Figure 2-bromo -6-methyl benzoic acid synthesis |
Last Update：2024-04-09 21:01:54
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View History
2-Bromo-6-methylbenzoic acid
sodium 4-[(dichloroamino)sulphonyl]benzoate
N-acetyl-N-(4-phenethylphenyl)acetamide
Ferulic Acid Impurity 20
6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz[c,e]azepine
57962-70-6
68391-30-0
THROMBOXANE-B2,5,6,8,9,11,12,14,15-3H
7-Borono-1-methyl-1H-indazole
3-{4-nitrobenzoyl}-1,3-benzoxazole-2(3H)-thione
sodium 4-[(dichloroamino)sulphonyl]benzoate
N-acetyl-N-(4-phenethylphenyl)acetamide
Ferulic Acid Impurity 20
6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz[c,e]azepine
57962-70-6
68391-30-0
THROMBOXANE-B2,5,6,8,9,11,12,14,15-3H
7-Borono-1-methyl-1H-indazole
3-{4-nitrobenzoyl}-1,3-benzoxazole-2(3H)-thione