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HomeProduct name list5-Bromo-2-methylbenzoic acid

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: 2024-04-07 18:44:46
5-Bromo-2-methylbenzoic acid Structural

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%).
79669-49-1.png

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)
ghs
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

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