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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
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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)
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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
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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..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
135585
Product name
4-Chlorobenzoic acid
Purity
99%
Packaging
50g
Price
$42.1
Updated
2024/03/01
Sigma-Aldrich
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
Sigma-Aldrich
Product number
1112423
Product name
Indomethacin Related Compound B
Purity
United States Pharmacopeia (USP) Reference Standard
Packaging
25mg
Price
$1300
Updated
2024/03/01
Sigma-Aldrich
Product number
8.00476
Product name
4-Chlorobenzoic acid
Purity
for synthesis
Packaging
5G
Price
$33
Updated
2022/05/15
Sigma-Aldrich
Product number
8.00476
Product name
4-Chlorobenzoic acid
Purity
for synthesis
Packaging
250g
Price
$77.9
Updated
2022/05/15
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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.]

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4-Chlorobenzoic acid Suppliers

Shandong Vantage Specialty Chemicals Biotechnology Co., Ltd.
Tel
133-96369453 18678026865
Fax
0536-2101172
Email
sdfantai@163.com
Country
China
ProdList
869
Advantage
58
Shanghai TongYuan Chemical Co., Ltd.
Tel
021-021-69182866 13701855675
Fax
021-69182022
Email
tongyuanchem@126.com
Country
China
ProdList
4321
Advantage
58
Nantong Lianyi Chemical CO.,LTD.
Tel
0513-81188185 13861935768
Email
ourui@lyhgchem.com
Country
China
ProdList
4
Advantage
58
Shanghai Boyle Chemical Co., Ltd.
Tel
021-50182298 021-50180596
Fax
+86-21-57758967
Email
sales@boylechem.com
Country
China
ProdList
2208
Advantage
55
J & K SCIENTIFIC LTD.
Tel
010-82848833 400-666-7788
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
96815
Advantage
76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
021-61259108 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
Advantage
62
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
Advantage
84
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24529
Advantage
81
Beijing HwrkChemical Technology Co., Ltd
Tel
010-89508211 18501085097
Fax
010-89508210
Email
sales.bj@hwrkchemical.com
Country
China
ProdList
8418
Advantage
55
Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44688
Advantage
61
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View Lastest Price from 4-Chlorobenzoic acid manufacturers

Speranza Chemical Co., Ltd.
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
HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD
Product
4-Chlorobenzoic acid 74-11-3
Price
US $99.00-66.00/kg
Min. Order
0.0010000000474974513kg
Purity
99%
Supply Ability
5000
Release date
2024-08-19
Hebei Weibang Biotechnology Co., Ltd
Product
4-Chlorobenzoic acid 74-11-3
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
100
Release date
2024-11-19

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