3686-66-6

Basic information

• Product Name: SODIUM P-CHLOROBENZOATE
• Synonyms: microbin;microbine;p-chlorobenzoicacidsodiumsalt;p-chloro-benzoicacisodiumsalt;4-CHLOROBENZOIC ACID SODIUM SALT;SODIUM P-CHLOROBENZOATE;SODIUM 4-CHLOROBENZOATE
• CAS NO: 3686-66-6
• Molecular Formula: C₇H₄ClO₂*Na
• Molecular Weight: 178.55
• Product Categories: Aromatic Esters
• Mol File: 3686-66-6.mol

Chemical Properties

• Boiling Point: 287.2 °C at 760 mmHg
• Flash Point: 127.5 °C
• Appearance: /
• Vapor Pressure: 0.00117mmHg at 25°C
• CAS DataBase Reference: SODIUM P-CHLOROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: SODIUM P-CHLOROBENZOATE(3686-66-6)
• EPA Substance Registry System: SODIUM P-CHLOROBENZOATE(3686-66-6)

Safety Data

• Hazardous Substances Data: 3686-66-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
SODIUM P-CHLOROBENZOATE is used as an intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of antiviral agents.
Used in Antiviral Preparation:
SODIUM P-CHLOROBENZOATE is used as a key component in the preparation method of antiviral active bagasse xylan cinnamate/m-chlorobenzoate. This application takes advantage of its properties to enhance the effectiveness of antiviral treatments.

InChI:InChI=1/C7H5ClO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1

Upstream product

• 124-41-4 sodium methylate 
• 119267-71-9 2-(4-chlorophenyl)-2-oxo-1-phenylethyl acetate 
• 119267-76-4 Acetic acid 2-(4-chloro-phenyl)-2-oxo-1-p-tolyl-ethyl ester 
• 29556-28-3 N-phenyl-p-chlorobenzohydroxamic acid 
• 29556-29-4 N-p-Tolyl-p-chlorobenzohydroxamic acid 
• 1126-46-1 Methyl 4-chlorobenzoate 
• 18027-10-6 sodium trimethylsilanolate 
• 74-11-3 para-chlorobenzoic acid 
• 4254-20-0 4,4'-dichlorobenzoin 
• 824-78-2 4-nitrophenol sodium salt 
• 104-88-1 4-chlorobenzaldehyde 
• 110374-94-2 C₈H₄Cl₄O₂^(2-) 
• 110374-91-9 2,2,2-Trichloro-1-(4-chloro-phenyl)-1-hydroxy-ethanol anion 
• 85055-80-7 4-Chloro-benzoic acid 9'H-[9,9']bifluorenyl-9-yl ester 

Downstream Products

• 50887-92-8 4-Chloro-benzoic acid [(2-chloro-ethoxycarbonyl)-(3-chloro-phenyl)-amino]-methyl ester 
• 84672-08-2 2-<4-chlorobenzoyloxy>-1-(4-methoxyphenyl)-1-propanonen 
• 84672-12-8 4-Chloro-benzoic acid 1-(4-chloro-phenyl)-2-(4-methoxy-phenyl)-2-oxo-ethyl ester 
• 114044-43-8 4-Chloro-benzoic acid 2-oxo-2H-benzo[cd]indol-1-ylmethyl ester 
• 874-59-9 4-chlorobenzoyl bromide 
• 104-88-1 4-chlorobenzaldehyde 
• 27942-64-9 n-butyl 4-chlorobenzoate 
• 5035-57-4 (C₆H₅)2SbO₂CC₆H₄Cl 
• 188547-22-0 [Ru(CO)(P(C₆H₅)3)2(O₂CC₆H₄Cl)(C₁₄H₁₂NO)] 
• 188547-24-2 carbonyl(p-chlorobenzoato)[4-methyl-6-(N-p-tolyliminomethyl)phenol-C⁽²⁾]bis(triphenylphosphine)ruthenium(II) 
• 824-78-2 4-nitrophenol sodium salt 
• 74-11-3 para-chlorobenzoic acid 
• 67483-73-2 benzyl p-chlorobenzoate 
• 1469860-80-7 [Cu(3,5-diisopropylpyrazole)₃(NO₃)(p-ClBz)]*CH₃CN 

Relevant articles and documents

The effect of 4-halogenobenzoate ligands on luminescent and structural properties of lanthanide complexes: Experimental and theoretical approaches

The ligands 4-fluorobenzoate (4-fba), 4-chlorobenzoate (4-cba), 4-bromobenzoate (4-bba) and 4-iodobenzoate (4-iba) were chosen in order to synthesize europium(iii), gadolinium(iii) and terbium(iii) complexes and compare the effect of halogens on their phy

Electronic and steric effects: How do they work in ionic liquids? the case of benzoic acid dissociation

(Figure Presented) The need to have a measure of the strength of some substituted benzoic acids in ionic liquid solution led us to use the protonation equilibrium of sodium p-nitrophenolate as a probe reaction, which was studied by means of spectrophotometric titration at 298 K. In order to evaluate the importance of electronic effect of the substituents present on the aromatic ring, both electron-withdrawing and -donor substituents were taken into account. Furthermore, to have a measure of the importance of the steric effect of the substituents both para- and ortho-substituted benzoic acids were analyzed. The probe reaction was studied in two ionic liquids differing for the ability of the cation to give hydrogen bond and π-π interactions, namely [bm 2im][NTf2] and [bmpyrr][NTf2]. Data collected show that benzoic acids are less dissociated in ionic liquid than in water solution. Furthermore, the equilibrium constant values seem to be significantly affected by both the nature of ionic liquid cation and the structure of the acid. In particular, the ortho-steric effect seems to operate differently in water and in the aromatic ionic liquid, determining in this solvent medium a particular behavior for ortho-substituted benzoic acids.

Kinetics and mechanism of alkaline hydrolysis of hydroxamic acids

Kinetics and mechanism of the alkaline hydrolysis of N-p-tolylbenzohydroxamic acid (p-X-C6H4(C=O)N(OH)C6H4-CH 3; X = H, CH3, Cl) and its para-substituted methyl and chloro derivatives have been studied in 10% (v/v) aqueous dioxane at 65°. Two cases of hydrolysis applicable to two different ranges of NaOH concentrations are recognized. The relative reactivity, temperature, salt, solvent and solvent isotope effects have also been examined.

Effect of solvents on the kinetics and mechanism of the acidic and alkaline hydrolysis of hydroxamic acids

The acid catalyzed hydrolysis of N-phenylbenzohydroxamic acid (PBHA) C6H5C(=0)N(OH)C6H5 has been studied in aq. dioxane, acetone, dimethylsulphoxide, dimethylformamide, methanol, ethanol and 2-propanol mixtures. Dioxane and methanol have a rate enhancing effect but DMF, acetone, ethanol and 2-propanol exert a rate decreasing effect. In DMSO an increase is followed by a decrease i.e. a rate maximum is observed. An attempt has also been made to study the alkaline hydrolysis of PBHA and two of its derivatives (X-C6H4C(=0)N(OH)C6H5; X=4-NO2, 4-Cl) in aq. dioxane. In all case the pseudo first order rate constant increase with increasing dioxane content. The activation parameters ΔH(+), Δ(+), and ΔGH(+) have been calculated. An attempt has been made to correlate rate data for acidic hydrolysis in terms of solvatochromic parameters and linear free energy relationships.

CLEAVAGE OF THE PHENACYL ESTERS OF CARBOXYLIC AND THIOCARBOXYLIC ACIDS BY METAL ALKOXIDES

During the cleavage of phenacyl esters with general formula XC6H4COCH2OCOR by metal alkoxides in alcohols and in ether-alcohol solutions the acids, esters, and ethers are formed as a result of cleavage of the C-C bond.The solvent participates in the formation of the ether and gives rise to transesterification of RCOOCH3 with catalytic participation of the metal alkoxide.The reactivity of the phenacyl esters of the thio acids is much higher.Before dissociation the esters of substituted benzoins C6H5COCH(OCOCH3).C6H4X-4 undergo irreversible rearrangement with the formation of isomeric products.

Preparation of anhydrous organic acid salts

One-step process for preparing anhydrous, organic acid alkali or alkaline earth metal salts by contacting and reacting an organic or polymeric acid fluoride, anhydride or ester and an organic alkali or alkaline earth metal silanolate.

Mechanistic Studies on the Basic Hydrolysis of 2,2,2-Trichloro-1-arylethanones

The basic hydrolysis of 2,2,2-trichloro-1-phenylethanone (1a), 2,2,2-trichloro-1-(p-methoxyphenyl)ethanone (1b), and 2,2,2-trichloro-1-(p-chlorophenyl)ethanone (1c) has been studied in the pH range 5.5-13.2.In all cases the reaction products were chloroform and the corresponding benzoate.The reaction is first order toward both the ethanone and hydroxide ion and proceeds via an addition-elimination-type mechanism.The initial addition step forms the corresponding ethanone hydrates, which, depending on the pH, will form the mono- and dianionic intermediates, the elimination of CCl3 from the mono- and/or dianionic species being the rate-limiting step of the reaction.

Substituent Constants of the Pyrazol, 1,2,3-Triazol, Benzotriazol, and Naphthotriazol Group

The synthesis of benzoic acids with the title substituents in p- and m-position (15, 13, 11, 9) and their ethyl and methyl esters is described.The ?p and ?m values of the substituents obtained by alkaline hydrolysis of the esters in ethanol/water and methylcellosolve/water demonstrate an inductive electron withdrawing and a mesomer electron donating effect of these groups which are important for dye chemistry.

METAL SILANOLATES: ORGANIC SOLUBLE EQUIVALENTS FOR O-2

Alkali metal trimethylsilanolates, M+ -OSiMe3, convert carboxylic acid derivatives into their corresponding anhydrous acid salts under mild non-aqueous conditions.