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HomeProduct name list2,6-Dichlorobenzoic acid

2,6-Dichlorobenzoic acid

  • CAS NO.:50-30-6
  • Empirical Formula: C7H4Cl2O2
  • Molecular Weight: 191.01
  • MDL number: MFCD00002418
  • EINECS: 200-025-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-13 12:20:35
2,6-Dichlorobenzoic acid Structural

What is 2,6-Dichlorobenzoic acid?

Chemical properties

white to off-white crystalline powder

The Uses of 2,6-Dichlorobenzoic acid

2,6-Dichlorobenzoic Acid is an di-halogenated benzoic acid derivative and is used in the synthesis of Lux-S enzyme inhibitor.

What are the applications of Application

2,6-Dichlorobenzoic acid is a di-halogenated benzoic acid derivative

Definition

ChEBI: 2,6-dichlorobenzoic acid is a chlorobenzoic acid carrying two chloro groups at positions 2 and 6 respectively. It has a role as a bacterial xenobiotic metabolite. It is a chlorobenzoic acid and a dichlorobenzene. It is functionally related to a benzoic acid. It is a conjugate acid of a 2,6-dichlorobenzoate.

Preparation

2,6-Dichlorobenzoic Acid can be prepared through several synthetic routes. One common method is the chlorination of benzoic acid in the presence of a catalyst such as phosphorus pentachloride or thionyl chloride. The reaction takes place under reflux in anhydrous conditions, resulting in the substitution of two chlorine atoms at positions 2 and 6 of the benzene ring. The resulting product is then isolated and purified through recrystallization from a suitable solvent. Another method involves the chlorination of the methyl ester of 2,6-dichlorobenzoic acid, followed by hydrolysis to yield the desired compound. Alternatively, it can also be synthesized through the oxidation of 2,6-dichlorotoluene using potassium permanganate or other oxidizing agents.

Air & Water Reactions

Slightly soluble in water.

Reactivity Profile

2,6-Dichlorobenzoic acid is a halogenated carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in 2,6-Dichlorobenzoic acid to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

Fire Hazard

Flash point data for 2,6-Dichlorobenzoic acid are not available; however, 2,6-Dichlorobenzoic acid is probably combustible.

Purification Methods

Crystallise the acid from EtOH and sublime it in vacuo.[Beilstein 9 IV 1005.] Aromatic acid impurities (to <0.05%) can be removed via the (±)--methylbenzylamine salt as described for 2,4-dichlorobenzoic acid [Ley & Yates Organic Process Research & Development 12 120 2008.]

Properties of 2,6-Dichlorobenzoic acid

Melting point: 139-142 °C (lit.)
Boiling point: 273.68°C (rough estimate)
Density  1.4410 (rough estimate)
refractive index  1.4590 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  14g/l
pka 1.69±0.10(Predicted)
form  Fine Crystalline Powder
color  White to beige
Water Solubility  0.1-1 g/100 mL at 19 ºC
BRN  973858
Stability: Stable. Incompatible with strong oxidizing agents.
CAS DataBase Reference 50-30-6(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 2,6-dichloro-(50-30-6)
EPA Substance Registry System Benzoic acid, 2,6-dichloro- (50-30-6)

Safety information for 2,6-Dichlorobenzoic acid

Signal word Warning
Pictogram(s)
ghs
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 2,6-Dichlorobenzoic acid

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