5-Bromo-2-methylbenzoic acid
- CAS NO.:79669-49-1
- Empirical Formula: C8H7BrO2
- Molecular Weight: 215.04
- MDL number: MFCD00267350
- EINECS: 628-605-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-22 13:59:06
What is 5-Bromo-2-methylbenzoic acid?
Chemical properties
Off-white Powder.
The Uses of 5-Bromo-2-methylbenzoic acid
2-Methyl-5-bromobenzoic acid is used in organic synthesis and pharmaceutical intermediates. It is used in the synthesis of 5-bromo-2-methyl-N-(quinolin-8-yl)benzamide, (5-Bromo-2-methylphenyl)(thiophen-2-yl)-methanone and 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene.
Synthesis
In a reaction vessel equipped with a mechanical stirrer, a solution of 2-methylbenzoic acid (10.00 g, 73.45 mmol, 1.0 equivalent) in concentrated sulfuric acid (15 mL) at room temperature, bromine (17.6 g, 110.14 mmol, 1. 5 equivalents) was added dropwise over 10 minutes and stirred at 25 ° C. for 20 hours. The reaction solution was injected into ice water (60 ml), and the precipitated solid was filtered, washed with water (20 mL), and air-dried at 60 ° C. overnight to obtain a bromo compound (15.2 g, 97%, addition rate: 95.7).5-Br body / 3-Br body = 62: 38). The obtained crude bromo compound (3 g) was dissolved in ethanol (9 mL) at 70 ° C., cooled to 20 ° C., and stirred at the same temperature for 30 minutes at 10 ° C. or lower for 3 hours. The precipitated crystals were filtered and air-dried at 60 ° C. overnight to obtain 5-Bromo-2-methylbenzoic acid(1.19 g, 5-Br / 3-Br = 91: 9, total yield: 38.5%).
Properties of 5-Bromo-2-methylbenzoic acid
Melting point: | 167-171°C |
Boiling point: | 319.4±30.0 °C(Predicted) |
Density | 1.599±0.06 g/cm3(Predicted) |
storage temp. | Inert atmosphere,Room Temperature |
solubility | soluble in Methanol |
form | powder to crystal |
pka | 3.48±0.25(Predicted) |
color | White to Almost white |
CAS DataBase Reference | 79669-49-1(CAS DataBase Reference) |
Safety information for 5-Bromo-2-methylbenzoic acid
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 5-Bromo-2-methylbenzoic acid
InChIKey | SEENCYZQHCUTSB-UHFFFAOYSA-N |
5-Bromo-2-methylbenzoic acid manufacturer
Lakshmi Farmachem
Neugen Labs
Syn Finechem Laboratories Pvt Ltd.
Sibram Pharmaceutical
BASR Fine Chemicals Pvt. Ltd.
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