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4-Chlorobenzoic acid

CAS No.
74-11-3
Chemical Name:
4-Chlorobenzoic acid
Synonyms
74-11-3;PCBA;4-CHLOROBENZOATE;P-CHLOROBENZOIC ACID;Acemetacin impurity A CRS;4-chlorobenzoic;Indomethacin Related Compound B;Mycosid;NSC 8444;NSC 32738
CBNumber:
CB5482423
Molecular Formula:
C7H5ClO2
Molecular Weight:
156.57
MDL Number:
MFCD00002531
MOL File:
74-11-3.mol
Last updated:2023-07-13 17:52:38

4-Chlorobenzoic acid Properties

Melting point 238-241 °C(lit.)
Boiling point 274-276 °C
Density 1.540
refractive index 1.5812 (estimate)
Flash point 238 °C
storage temp. room temp
solubility methanol: soluble1%, clear, colorless to faintly yellow
form Crystalline Powder
pka 3.98(at 25℃)
color White to yellow
PH 4.3 (0.08g/l, H2O, 20℃)
Water Solubility soluble in hot water
λmax 284nm(EtOH)(lit.)
Merck 14,2125
BRN 907196
Stability Stable. Combustible. Incompatible with bases, strong oxidizing agents.
InChIKey XRHGYUZYPHTUJZ-UHFFFAOYSA-N
LogP 2.650
CAS DataBase Reference 74-11-3(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII IC7888DF4L
NIST Chemistry Reference Benzoic acid, 4-chloro-(74-11-3)
EPA Substance Registry System p-Chlorobenzoic acid (74-11-3)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P501
Hazard Codes  Xn
Risk Statements  22-36/37/38
Safety Statements  26-36-37/39
WGK Germany  2
RTECS  DG4976010
Autoignition Temperature 545 °C
TSCA  Yes
HS Code  29163900
Toxicity LD50 orally in Rabbit: 1170 mg/kg
NFPA 704
1
2 0

4-Chlorobenzoic acid price More Price(35)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 135585 4-Chlorobenzoic acid 99% 74-11-3 50g $42.1 2024-03-01 Buy
Sigma-Aldrich PHR2581 Indomethacin Related Compound B Pharmaceutical Secondary Standard; Certified Reference Material, certified reference material, pharmaceutical secondary standard, pkg of 50?mg 74-11-3 50MG $534 2024-03-01 Buy
Sigma-Aldrich 1112423 Indomethacin Related Compound B United States Pharmacopeia (USP) Reference Standard 74-11-3 25mg $1300 2024-03-01 Buy
Sigma-Aldrich 8.00476 4-Chlorobenzoic acid for synthesis 74-11-3 5G $33 2022-05-15 Buy
Sigma-Aldrich 8.00476 4-Chlorobenzoic acid for synthesis 74-11-3 250g $77.9 2022-05-15 Buy
Product number Packaging Price Buy
135585 50g $42.1 Buy
PHR2581 50MG $534 Buy
1112423 25mg $1300 Buy
8.00476 5G $33 Buy
8.00476 250g $77.9 Buy

4-Chlorobenzoic acid Chemical Properties,Uses,Production

Chemical Properties

white to light yellow crystal powder. Soluble in methanol, anhydrous ethanol and ether, very slightly soluble in water, toluene and 95% ethanol.

Uses

4-Chlorobenzoic acid is a benzoic acid analogue that showed antifungal activity against strains of Aspergillus flavus, Aspergillus fumigatus and Aspergillus terreus, causative agents of human aspergillosis, in in vitro bioas says. It is used as a preservative.
P-chlorobenzoic acid is the intermediate of fungicide dimethomorph, rodenticide Warfarin, Coumatetralyl and insecticide flumethrin, and also the intermediate of dye and medicine.

Uses

4-Chlorobenzoic acid can be used:
As a ligand to synthesize luminescent lanthanide complexes for bio-labeling or fiber communication applications.
To prepare organotin(IV) chlorobenzoates exhibiting anticorrosion properties.
As a ligand to synthesize di-n-butyl(4-chlorobenzoxy)(4-chlorobenzohydroxamato)tin(IV).

Preparation

4-Chlorobenzoic acid is obtained by oxidation of p-chlorotoluene: add potassium permanganate solution to the mixture of p-chlorotoluene and water in stages. The reaction is refluxed under stirring for 5-6h, then acidified with hydrochloric acid to pH 2, filtered to obtain the crude product, and recrystallized with ethanol to obtain the finished product.

Definition

ChEBI: 4-chlorobenzoic acid is a monochlorobenzoic acid carrying a chloro substituent at position 4. It has a role as a bacterial xenobiotic metabolite. It derives from a benzoic acid. It is a conjugate acid of a 4-chlorobenzoate.

Synthesis Reference(s)

Organic Syntheses, Coll. Vol. 2, p. 135, 1943
Synthetic Communications, 25, p. 3695, 1995 DOI: 10.1080/00397919508015507
Tetrahedron Letters, 22, p. 1013, 1981 DOI: 10.1016/S0040-4039(01)82853-7

General Description

Triclinic crystals or light fluffy white powder.
4-Chlorobenzoic acid is a degradation product of indomethacin. It is degraded by Acinetobacter sp. strain ST-1 and causes its dehalogenation to yield 4-hydroxybenzoic acid under both aerobic and anaerobic conditions.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

4-Chlorobenzoic acid is incompatible with strong oxidizing agents and strong bases.

Fire Hazard

Flash point data for 4-Chlorobenzoic acid are not available; however, 4-Chlorobenzoic acid is probably combustible.

Purification Methods

Purify it as for m-chlorobenzoic acid. It has also been crystallised from hot water, and from EtOH. [Beilstein 9 IV 973.]

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View Lastest Price from 4-Chlorobenzoic acid manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-Chlorobenzoic acid pictures 2024-03-29 4-Chlorobenzoic acid
74-11-3
US $10.00 / KG 1KG 99% 300MT/year Speranza Chemical Co., Ltd.
4-Chlorobenzoic acid pictures 2024-03-29 4-Chlorobenzoic acid
74-11-3
US $10.00-1.00 / kg 1kg 99% 300tons Hebei Dangtong Import and export Co LTD
4-Chlorobenzoic acid pictures 2024-03-16 4-Chlorobenzoic acid
74-11-3
US $0.00 / KG 100g 98%+ 100kg WUHAN CIRCLE POWDER TECHNOLOGY CO.,LTD
AKOS 92635 AKOS BBS-00003713 RARECHEM AL BO 0054 4-Chlorbenzoesαure 4-chloro-benzoicaci Acido p-clorobenzoico acidop-clorobenzoico Benzoic acid, p-chloro- benzoicacid,4-chloro- p-CHLOROBENZOIC ACID pure 4-Chlorobenzoic acid,99% p-Chorobenzoic acid 4-Chlorobenzoic acid, 99% 250GR 4-Chlorobenzoic acid, 99% 25GR Mycosid NSC 143358 NSC 32738 NSC 8444 4-CHLOROBENZOIC ACID FOR SYNTHESIS 4-chlorobenzoic aicd 4-Chlorobenzoic acid Vetec(TM) reagent grade, 98% Of chlorobenzoic acid 4-Chlorobenzoi 'LGC' (4004) LABOTEST-BB LT00776185 CHLORODRACYLIC ACID 4-CHLOROBENZOIC ACID para-chlorobenzoicacid p-Carboxychlorobenzene p-Chlorbenzoic acid p-chlorbenzoicacid p-chlorobenzoic p-chloro-benzoicaci 4-CHLOROBENZOIC ACID, 1000MG, NEAT ChlorocholineChloride50%AqueousSolution 4-Chlorobenzoic acid, 98+% Chlorodracyclic acid p-CHLOROBENZOIC ACID extrapure AR Indometacin EP Impurity A Indomethacin EP Impurity A Acemetacin Impurity 1(Acemetacin EP Impurity A) Bezafibrate Impurity 2(Bezafibrate EP Impurity B) Indomethacin USP RC B 4-Chlorobenzoic Acid (Indomethacin Impurity) Bezafibrate EP Impurity B Indomethacin Impurity 15 Acemetacin EP Impurity A (Indomethacin EP Impurity A/ Indomethacin Related Compound B/ Bezafibrate EP Impurity B) Bezafibrate EP Impurity B (Acemetacin EP Impurity A/ Indomethacin EP Impurity A/ Indomethacin Related Compound B) Indomethacin EP Impurity A/ Indomethacin Related Compound B (Acemetacin EP Impurity A/ Bezafibrate EP Impurity B) Indometacin Impurit Ⅱ:4-Chlorobenzoic acid p-Chlorobenzoic Acid extrapure AR, 99.7% Indomethacin Related Compound B (4-chlorobenzoic acid) (1112423) PCBA P-CHLOROBENZOIC ACID 4-chlorobenzoic 74-11-3 4-CHLOROBENZOATE Indomethacin Related Compound B