17264-88-9

Basic information

• Product Name: SODIUM 3-CHLOROBENZOATE
• Synonyms: Benzoic acid, 3-chloro-, sodiuM salt
• CAS NO: 17264-88-9
• Molecular Formula: C₇H₄ClO₂*Na
• Molecular Weight: 178.5496
• Mol File: 17264-88-9.mol

Chemical Properties

• Boiling Point: 281.3 °C at 760 mmHg
• Flash Point: 123.9 °C
• Appearance: /
• Vapor Pressure: 0.00171mmHg at 25°C
• CAS DataBase Reference: SODIUM 3-CHLOROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: SODIUM 3-CHLOROBENZOATE(17264-88-9)
• EPA Substance Registry System: SODIUM 3-CHLOROBENZOATE(17264-88-9)

Safety Data

• Hazardous Substances Data: 17264-88-9(Hazardous Substances Data)

Usage

Uses

Used in Cosmetics and Personal Care Industry:
Sodium 3-chlorobenzoate is used as a preservative and antimicrobial agent for maintaining the freshness and safety of cosmetic and personal care products. Its effectiveness in preventing microbial contamination helps to ensure the quality and longevity of these products.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, sodium 3-chlorobenzoate serves as a preservative in various formulations, such as creams, ointments, and other topical medications. Its antimicrobial action helps to prevent the growth of harmful microorganisms, ensuring the stability and efficacy of the pharmaceutical products.
Used as an Intermediate in Organic Synthesis:
Sodium 3-chlorobenzoate is also utilized as an intermediate in the synthesis of other organic compounds. Its unique chemical structure makes it a valuable building block for the development of new pharmaceuticals, agrochemicals, and other specialty chemicals.
It is important to handle sodium 3-chlorobenzoate with proper safety precautions due to its potential to cause irritation to the skin, eyes, and respiratory system.

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

Upstream product

• 535-80-8 3-chlorobenzoate 
• 85055-76-1 3-Chloro-benzoic acid 1-(9H-fluoren-9-yl)-2,2-dimethyl-propyl ester 
• 85055-68-1 fluoren-9-ylmethyl 3-chloro-benzoate 
• 124-41-4 sodium methylate 
• 87992-00-5 2-(3-chlorophenyl)-2-oxoethyl acetate 

Downstream Products

• 98386-24-4 3-Chlorbenzoesaeure-methoxymethylester 
• 212203-21-9 m-(N-saccharinyl)-benzoic acid azide 
• 212203-18-4 3-(1,1,3-trioxo-1,3-dihydro-1λ⁶-benzo[d]isothiazol-2-yl)-benzoyl chloride 
• 223518-41-0 3-(1,1,3-trioxo-1,3-dihydro-1λ⁶-benzo[d]isothiazol-2-yl)-benzoic acid 
• 64649-41-8 2-(3-Chlorbenzoyloxy)acetamid 

Relevant articles and documents

Designing of homo and heteroleptic zinc(II) carboxylates: synthesis, spectroscopic characterizations, DNA binding study, CTAB interaction and in vitro antimicrobial evaluations

Synthesis of two homoleptic and five heteroleptic zinc (II) carboxylate complexes with two different ligands: HL1 = 3-chlorobenzoic acid and HL2 = 2-(4-chlorophenyl) acetic acid have been reported in this paper. The general formulae of the two homoleptic complexes are: Zn(L1)2(1), and Zn(L2)2(2). Similarly, the general formulae for two different types of heteroleptic complexes are: (Type-I): [(Zn)2(L1)4(bipy)2(H2O)] (3), [Zn(L2)2(bipy)(H2O)] (4) and (Type-II): [ZnL1L2] (5), [ZnL1L2(py)] (6) and [ZnL1L2(bipy)] (7). The synthesized complexes were characterized in the solid state by FT-IR, CHN analyses and in solution state by NMR (1H, 13C) spectroscopy. Complexes 3 and 4 were also characterized by single crystal analysis where data revealed that the geometry around each Zn atom is distorted trigonal bipyramidal and octahedral, respectively. The synthesized complexes were interacted with SS-DNA and CTAB (surfactant). Interaction of the synthesized compounds with SS-DNA was studied by UV–visible spectroscopy and viscometry and intercalative mode of interaction was exhibited. Moreover, the interaction of the synthesized complexes with CTAB was studied by conductometry showing a strong binding that is evident from higher CMC and negative Gibbs free energy of micellization (ΔGm) values. The tested compounds were further screened for in vitro antibacterial and antifungal activities and were found active against the studied strains of bacteria and fungus.

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.

Studies of the Borderline between Concerted and Stepwise Mechanisms of Elimination : E1cB Elimination of Fluoren-9-ylmethyl Carboxylate Esters

Rates of β-elimination of carboxylate leaving groups from fluoren-9-ylmethyl carboxylate esters in methanolic sodium methoxide at 25 deg C are reported.An E1cB mechanism with rate-determining formation of a carbanion intermediate is assigned on the basis of near identity of measured elimination rates and rates of carbanion formation predicted from a Taft correlation, and the similarity with elimination of 1-(1-acetoxy-1-methylethyl)indene for which the mechanism has been established by Ahlberg and Thibblin.Values of ρ=0.42 and βlg=0.27 measured for substituted benzoate leaving groups are a little larger than expected (ca. 0.24 and 0.18, respectively) and the discrepancy is tentatively ascribed to conformational enhancement of remote substituent effects, rather than to a contribution of E2 elimination.The effects of alkyl and aryl substitution α to the leaving group are discussed, especially in relation to the borderline between concerted and stepwise mechanisms.The measurements fail to confirm an earlier inference that the borderline shows a discontinuity in transition-state structure at the point of mechanistic change.