2,4-Dichlorbenzoic acid - ≥95%(GC) , CAS No.50-84-0

CAS: 50-84-0 Cat. No.: D104404 Molecular Weight: 191.01 Beilstein Registry Number: 1868192 EC Number: 200-067-8

GRADE & PURITY ≥95%(GC)

Synonyms

D0337 | 2,4-Dichlorobenzoic Acid; Furosemide Imp. E (EP); 2,4-Dichlorobenzyl Alcohol Impurity E; Furosemide Impurity E | AKOS000119754 | BB 0240623 | CCRIS 9472 | Benzoic acid, 2,4-dichloro- | FT-0610044 | NCGC00091214-02 | BRN 1868192 | 2,4-Dichlorobenzo

Storage

Room temperature

Shipped In

Normal

Overview

2,4-Dichlorobenzoic acid was used in solid-phase extraction and gas chromatographic determination of polar acidic herbicides in surface water.2,4-Dichlorobenzoic acid was used as reagent during the synthesis of pyrimido[2′,1′:2,3]thiazolo[4,5-b]quinoxaline derivatives. 2,4-Dichlorobenzoic acid was used as starting reagent during the synthesis of 1-(substituted)-1,4-dihydro-6-nitro-4-oxo-7-(sub-secondary amino)-quinoline-3-carboxylic acids.

Specifications

Synonyms

D0337 | 2, 4-Dichlorobenzoic Acid; Furosemide Imp. E (EP); 2, 4-Dichlorobenzyl Alcohol Impurity E; Furosemide Impurity E | AKOS000119754 | BB 0240623 | CCRIS 9472 | Benzoic acid, 2, 4-dichloro- | FT-0610044 | NCGC00091214-02 | BRN 1868192 | 2, 4-Dichlorobenzo

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504750938
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750938
• Canonical Smiles: C1=CC(=C(C=C1Cl)Cl)C(=O)O
• IUPAC Name: 2,4-dichlorobenzoic acid
• InChIKey: ATCRIUVQKHMXSH-UHFFFAOYSA-N
• INCHI: 1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)O
• WGK Germany: 3
• RTECS: DG6650000
• Molecular Weight: 191.01
• Beilstein: 1868192
• Reaxy-Rn: 1868192
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868192&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzoic acids
          • Level6 Dichlorobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzoic acids
• Direct Parent: Dichlorobenzoic acids
• Alternative Parents: Halobenzoic acids 4-halobenzoic acids 2-halobenzoic acids Dichlorobenzenes Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Aryl chlorides Vinylogous halides Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2,4-dichlorobenzoic acid - Halobenzoic acid - 4-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzoic acids. These are benzoic acids having two chlorine atoms attached to the carboxylated benzene ring.
• External Descriptors: dichlorobenzene - chlorobenzoic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CASP1 Tchem Caspase-1 (6235 Activities)

Discover Target: CASP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol (100 mg/ml), water (0.48 mg/ml), alcohol, ether, and acetone.
• Boil Point(°C): 200°C
• Melt Point(°C): 160-164°C
• Molecular Weight: 191.010 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.959 Da
• Monoisotopic Mass: 189.959 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 161.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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2. Jiasheng Zhou, Zimo Lou, Zheni Wang, Chuchen Zhou, Cheng Li, Shams Ali Baig, Xinhua Xu.  (2021)  Electrocatalytic dechlorination of 2,4-DCBA using CTAB functionalized Pd/GAC movable granular catalyst: Role of adsorption in catalysis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.128758]

3. Nadeem Muhammad, Dandan Guo, Yun Zhang, Azeem Intisar, Qamar Subhani, Muhammad Abdul Qadir, Hairong Cui.  (2019)  Online clean-up setup for the determination of non-fluorescent acidic pharmaceutical drugs in complex biological samples.  JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES,      [PMID:31437773] [10.1016/j.jchromb.2019.06.035]

4. Zimo Lou, Jiang Xu, Jiasheng Zhou, Kunlun Yang, Zhen Cao, Yizhou Li, Yuanli Liu, Liping Lou, Xinhua Xu.  (2019)  Insight into atomic H* generation, H2 evolution, and cathode potential of MnO2 induced Pd/Ni foam cathode for electrocatalytic hydrodechlorination.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2019.05.171]

5. Jiasheng Zhou, Zimo Lou, Jiang Xu, Xiaoxin Zhou, Kunlun Yang, Xiaoyu Gao, Yilin Zhang, Xinhua Xu.  (2018)  Enhanced electrocatalytic dechlorination by dispersed and moveable activated carbon supported palladium catalyst.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2018.10.098]

6. Zimo Lou, Jiasheng Zhou, Mei Sun, Jiang Xu, Kunlun Yang, Dan Lv, Yaping Zhao, Xinhua Xu.  (2018)  MnO2 enhances electrocatalytic hydrodechlorination by Pd/Ni foam electrodes and reduces Pd needs.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2018.07.057]

7. Meng Liu, Chuming Yin, Peng Chen, Mingtao Zhang, Sean Parkin, Panpan Zhou, Tonglei Li, Faquan Yu, Sihui Long.  (2017)  sp2CH⋯Cl hydrogen bond in the conformational polymorphism of 4-chloro-phenylanthranilic acid.  CRYSTENGCOMM,  19  (30): (4345-4354).  [PMID:] [10.1039/C7CE00772H]

8. Fengping Liu, Aiming Zhong, Qin Xu, Hongen Cao, Xiaoya Hu.  (2016)  Inhibition of 2,4-Dichlorophenoxyacetic Acid to Catalase Immobilized on Hierarchical Porous Calcium Phosphate: Kinetic Aspect and Electrochemical Biosensor Construction.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.5b12559]

9. Yaxuan Peng, Meiyan Wang.  (2025)  MnO2-Supported Pd Nanocatalyst for Efficient Electrochemical Reduction of 2,4-Dichlorobenzoic Acid.  Clean Technologies,  7  (4): (102).  [PMID:] [10.3390/cleantechnol7040102]