58530-13-5
3-Bromo-5-methylbenzoic acid
CAS: 58530-13-5
Molecular Formula: C8H7BrO2
58530-13-5 - Names and Identifiers
| Name | 3-Bromo-5-methylbenzoic acid |
| Synonyms | 3-Bromo-5-methylbenzoic acid 5-broMo-3-Methylbenzoic acid 3-bromo-5-methylbenzoic acid 3-Bromo-5-Methyl benzoic acid Benzoic acid, 3-bromo-5-methyl- |
| CAS | 58530-13-5 |
| InChI | InChI=1/C8H7BrO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11) |
| InChIKey | NWOMVQDBDBUANF-UHFFFAOYSA-N |
58530-13-5 - Physico-chemical Properties
| Molecular Formula | C8H7BrO2 |
| Molar Mass | 215.04 |
| Density | 1.599±0.06 g/cm3 (20 ºC 760 Torr) |
| Melting Point | 178-179.5℃ |
| Boling Point | 320.3±30.0 °C(Predicted) |
| Flash Point | 147.5°C |
| Vapor Presure | 0.000133mmHg at 25°C |
| pKa | 3.88±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.595 |
58530-13-5 - Introduction
3-Bromo-5-methylbenzoic acid is an organic compound with the formula C8H7BrO2. The following is a description of its nature, use, formulation and safety information:
Nature:
-Appearance: 3-Bromo-5-methylbenzoic acid is a white crystalline solid.
-Solubility: It is easy to dissolve in general organic solvents, but its solubility in water is low.
-Melting point: Its melting point is about 168-170 degrees Celsius.
Use:
-Chemical synthesis: 3-Bromo-5-methylbenzoic acid can be used as an organic synthesis intermediate to prepare other compounds.
-Pharmaceutical field: It may have some biological activities, so it can be used in drug research and development.
Preparation Method:
3-Bromo-5-methylbenzoic acid is generally synthesized by the following steps:
1. with methyl benzoic acid (methylbenzoic acid) as the starting material.
2. Add a bromine source such as cuprous bromide (cuprous bromide) or ferrous bromide (ferrous bromide) to the reaction system and control the temperature.
3. The product generated in the reaction can be purified by crystallization or other separation methods.
Safety Information:
- 3-Bromo-5-methylbenzoic acid is a stable substance under normal temperature and pressure.
-However, when heated or in contact with strong oxidants, harmful gases and vapors may be generated.
-Wear appropriate protective equipment such as gloves and goggles during operation.
-Prolonged exposure to the skin or inhalation of its vapors should be avoided to avoid irritation or injury.
-When using or handling, please refer to and follow the relevant safety procedures and personal protective measures.
Nature:
-Appearance: 3-Bromo-5-methylbenzoic acid is a white crystalline solid.
-Solubility: It is easy to dissolve in general organic solvents, but its solubility in water is low.
-Melting point: Its melting point is about 168-170 degrees Celsius.
Use:
-Chemical synthesis: 3-Bromo-5-methylbenzoic acid can be used as an organic synthesis intermediate to prepare other compounds.
-Pharmaceutical field: It may have some biological activities, so it can be used in drug research and development.
Preparation Method:
3-Bromo-5-methylbenzoic acid is generally synthesized by the following steps:
1. with methyl benzoic acid (methylbenzoic acid) as the starting material.
2. Add a bromine source such as cuprous bromide (cuprous bromide) or ferrous bromide (ferrous bromide) to the reaction system and control the temperature.
3. The product generated in the reaction can be purified by crystallization or other separation methods.
Safety Information:
- 3-Bromo-5-methylbenzoic acid is a stable substance under normal temperature and pressure.
-However, when heated or in contact with strong oxidants, harmful gases and vapors may be generated.
-Wear appropriate protective equipment such as gloves and goggles during operation.
-Prolonged exposure to the skin or inhalation of its vapors should be avoided to avoid irritation or injury.
-When using or handling, please refer to and follow the relevant safety procedures and personal protective measures.
Last Update：2024-04-09 02:00:47
