2,4-Dichlorobenzaldehyde - ≥98% , CAS No.874-42-0

CAS: 874-42-0 Cat. No.: D100690 Molecular Weight: 175.01 Beilstein Registry Number: 471601 EC Number: 212-861-1

GRADE & PURITY ≥98%

Synonyms

DICHLOROBENZALDEHYDE, 2,4- | PS-6004 | D71088 | DTXCID302130 | AMY39072 | A842216 | EN300-18374 | UNII-Z08QL2124R | AC-11246 | MFCD00003305 | NSC 8762 | NSC8762 | SCHEMBL95435 | EINECS 212-861-1 | CAS-874-42-0 | Tox21_201217 | FT-0610037 | CCRIS 6013 | (2

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

2,4-Dichlorobenzaldehyde on condensation with 4-amino-5-mercapto-3-methyl/ethyl-1,2,4-triazole yields bidentate Schiff base ligands and their metal complexes are potential antimicrobial agents

Specifications

Synonyms

DICHLOROBENZALDEHYDE, 2, 4- | PS-6004 | D71088 | DTXCID302130 | AMY39072 | A842216 | EN300-18374 | UNII-Z08QL2124R | AC-11246 | MFCD00003305 | NSC 8762 | NSC8762 | SCHEMBL95435 | EINECS 212-861-1 | CAS-874-42-0 | Tox21_201217 | FT-0610037 | CCRIS 6013 | (2

Specifications & Purity

≥98%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181849
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181849
• Canonical Smiles: C1=CC(=C(C=C1Cl)Cl)C=O
• IUPAC Name: 2,4-dichlorobenzaldehyde
• InChIKey: YSFBEAASFUWWHU-UHFFFAOYSA-N
• INCHI: 1S/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)C=O
• WGK Germany: 2
• UN Number: 3261
• Packing Group: I
• Molecular Weight: 175.01
• Beilstein: 471601
• Reaxy-Rn: 471601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471601&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Benzoyl derivatives Benzaldehydes Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Aryl halide - Aryl chloride - Vinylogous halide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: Not available

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)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

Associated Targets(non-human)

B16-F10 (4610 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Practically insoluble; Very soluble in Alcohol,Ether,Toluene
• Sensitivity: Light and Air sensitive
• Flash Point(°F): 275 °F
• Flash Point(°C): 135 °C
• Boil Point(°C): 233°C
• Melt Point(°C): 74.5°C
• Molecular Weight: 175.010 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.964 Da
• Monoisotopic Mass: 173.964 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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

1. Li Xiao, Hanbin Shan, Yi Wu.  (2023)  Chitosan cross-linked and grafted with epichlorohydrin and 2,4-dichlorobenzaldehyde as an efficient adsorbent for removal of Pb(II) ions from aqueous solution.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:37348580] [10.1016/j.ijbiomac.2023.125503]

2. Zimo Lou, Yizhou Li, Jiasheng Zhou, Kunlun Yang, Yuanli Liu, Shams Ali Baig, Xinhua Xu.  (2018)  TiC doped palladium/nickel foam cathode for electrocatalytic hydrodechlorination of 2,4-DCBA: Enhanced electrical conductivity and reactive activity.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:30236935] [10.1016/j.jhazmat.2018.08.066]

3. Yu Zhu, Ying Wang, Huimin Zhao, Jinli Wei, Haoyuan Chen, Maroosha Javed, Linghua Zhuang, Guowei Wang.  (2025)  Synthesis, antioxidant activity, DFT simulations, molecular docking studies of Schiff base derivatives containing 2-(2-hydrazinyl) thiazole moiety.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.142150]