4,5-Dichloro-o-phenylenediamine - ≥98% , CAS No.5348-42-5

CAS: 5348-42-5 Cat. No.: D111109 Molecular Weight: 177.03 Beilstein Registry Number: 1072811 EC Number: 226-305-0

GRADE & PURITY ≥98%

Synonyms

4,5-dichlorophenylenediamine | 4,5-Dichloro-phenylenediamine | 4,5-Dichloro-1,2-benzenediamine | A23848 | AMY28209 | FT-0617153 | DTXSID70201663 | J-514075 | AI3-28150 | p-Mentha-1-en-9-ol | 4,5-dichloro-1,2-diaminobenzene | D2307 | STR01907 | 1-adamantan

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4, 5-dichlorophenylenediamine | 4, 5-Dichloro-phenylenediamine | 4, 5-Dichloro-1, 2-benzenediamine | A23848 | AMY28209 | FT-0617153 | DTXSID70201663 | J-514075 | AI3-28150 | p-Mentha-1-en-9-ol | 4, 5-dichloro-1, 2-diaminobenzene | D2307 | STR01907 | 1-adamantan

Specifications & Purity

≥98%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185708
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185708
• Canonical Smiles: C1=C(C(=CC(=C1Cl)Cl)N)N
• IUPAC Name: 4,5-dichlorobenzene-1,2-diamine
• InChIKey: IWFHBRFJOHTIPU-UHFFFAOYSA-N
• INCHI: 1S/C6H6Cl2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
• Isomeric SMILES: C1=C(C(=CC(=C1Cl)Cl)N)N
• WGK Germany: 3
• Molecular Weight: 177.03
• Beilstein: 1072811
• Reaxy-Rn: 1072811
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072811&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: Aniline and substituted anilines Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - 1,2-dichlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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

Chemical and Physical Properties

• Sensitivity: air & light sensitive
• Melt Point(°C): 158-164°C
• Molecular Weight: 177.030 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 175.991 Da
• Monoisotopic Mass: 175.991 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 106.000
• 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. Guanghui Zhou, Yumeng Jia, Kai Chen, Haiguang Gao, Jian Zang, Yucheng Huang, Juan Xu, Jianyu Cao.  (2026)  A sulfur-linked C3-symmetric conjugated trimeric naphthoquinone-benzopyrazine derivative with high-density C=O/C=N redox-active moieties for high-capacity and stable cathodic lithium storage.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2026.239957]