3-Bromobenzoic acid
- CAS NO.:585-76-2
- Empirical Formula: C7H5BrO2
- Molecular Weight: 201.02
- MDL number: MFCD00002487
- EINECS: 209-562-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 13:37:16
What is 3-Bromobenzoic acid?
Chemical properties
white to light yellow crystal powder. soluble in alcohols and ethers, insoluble in water.Used as organic synthesis reagent.
The Uses of 3-Bromobenzoic acid
3-Bromobenzoic acid was used as test solute in the determination of acidity constants by capillary zone electrophoresis. It was used as internal standard to study the retention mechanisms of an unmodified and a hydroxylated polystyrene-divinylbenzene polymer by solid-phase extraction. It was also used in synthesis of N-(1,1-dimethyl-2-hydroxyethyl)-3-bromobenzamide.
Preparation
3-Bromobenzoic acid is synthesized from 3-bromotoluene by oxidation of potassium permanganate. Mix m-bromotoluene, potassium hydroxide and water, heat to boiling, slowly add potassium permanganate, and reflux for 4 hours after adding. After acidification by filtration, the crude product was obtained by filtration. Then it is dissolved in ethanol with ammonia water, acidified with hydrochloric acid, filtered and washed with water to obtain 3-bromobenzoic acid.
Definition
ChEBI: 3-bromobenzoic acid is a bromobenzoic acid carrying a single bromo subsituent at the 3-position.
Synthesis Reference(s)
The Journal of Organic Chemistry, 15, p. 481, 1950 DOI: 10.1021/jo01149a007
Purification Methods
Crystallise the acid from acetone/water, MeOH or acetic acid. The anilide has m 137o (from EtOH/H2O). [Beilstein 9 IV 1013.]
Properties of 3-Bromobenzoic acid
Melting point: | 155-158 °C(lit.) |
Boiling point: | >280 °C |
Density | 1,948 g/cm3 |
refractive index | 1.6080 (estimate) |
storage temp. | Sealed in dry,Room Temperature |
solubility | methanol: soluble50mg/mL, clear, colorless |
form | Powder |
pka | 3.86(at 25℃) |
color | White to light beige |
Water Solubility | 0.54 g/L (32 ºC) |
BRN | 2041792 |
CAS DataBase Reference | 585-76-2(CAS DataBase Reference) |
NIST Chemistry Reference | Benzoic acid, 3-bromo-(585-76-2) |
EPA Substance Registry System | m-Bromobenzoic acid (585-76-2) |
Safety information for 3-Bromobenzoic acid
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
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. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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 3-Bromobenzoic acid
InChIKey | VOIZNVUXCQLQHS-UHFFFAOYSA-N |
3-Bromobenzoic acid manufacturer
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