4-Chlorobenzoic acid
- Product Name
- 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
- Formula Weight
- 156.57
- MOL File
- 74-11-3.mol
4-Chlorobenzoic acid Property
- 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)
- NIST Chemistry Reference
- Benzoic acid, 4-chloro-(74-11-3)
- EPA Substance Registry System
- p-Chlorobenzoic acid (74-11-3)
Safety
- 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
- Hazardous Substances Data
- 74-11-3(Hazardous Substances Data)
- Toxicity
- LD50 orally in Rabbit: 1170 mg/kg
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 135585
- Product name
- 4-Chlorobenzoic acid
- Purity
- 99%
- Packaging
- 50g
- Price
- $42.1
- Updated
- 2024/03/01
- Product number
- PHR2581
- Product name
- Indomethacin Related Compound B
- Purity
- Pharmaceutical Secondary Standard; Certified Reference Material, certified reference material, pharmaceutical secondary standard, pkg of 50?mg
- Packaging
- 50MG
- Price
- $534
- Updated
- 2024/03/01
- Product number
- 1112423
- Product name
- Indomethacin Related Compound B
- Purity
- United States Pharmacopeia (USP) Reference Standard
- Packaging
- 25mg
- Price
- $1300
- Updated
- 2024/03/01
- Product number
- 8.00476
- Product name
- 4-Chlorobenzoic acid
- Purity
- for synthesis
- Packaging
- 5G
- Price
- $33
- Updated
- 2022/05/15
- Product number
- 8.00476
- Product name
- 4-Chlorobenzoic acid
- Purity
- for synthesis
- Packaging
- 250g
- Price
- $77.9
- Updated
- 2022/05/15
4-Chlorobenzoic acid Chemical Properties,Usage,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.]
4-Chlorobenzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-Chlorobenzoic acid manufacturers
- Product
- 4-Chlorobenzoic acid 74-11-3
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 300MT/year
- Release date
- 2019-12-24
- Product
- 4-Chlorobenzoic acid 74-11-3
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99.91%
- Supply Ability
- 200000
- Release date
- 2024-04-15
- Product
- 4-Chlorobenzoic acid 74-11-3
- Price
- US $0.00/KG
- Min. Order
- 100g
- Purity
- 98%+
- Supply Ability
- 100kg
- Release date
- 2021-03-03