2-Chloro-1,4-phenylenediamine - ≥98% , CAS No.615-66-7

CAS: 615-66-7 Cat. No.: C153793 Molecular Weight: 142.59 EC Number: 210-441-2

GRADE & PURITY ≥98%

Synonyms

2-Chlor-p-fenylendiamin [Czech] | AKOS005259472 | DTXSID3043944 | C.I. 76065 | 2-Chlor-p-fenylendiamin | AC-11816 | CI 76065 | SCHEMBL33731 | 2,5-diaminochlorobenzene | EN300-33942 | FT-0611657 | HSDB 4126 | 2-Chloro-(1,4-phenylenediamine) | 2-Chloro-4-ph

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

2-Chlor-p-fenylendiamin [Czech] | AKOS005259472 | DTXSID3043944 | C.I. 76065 | 2-Chlor-p-fenylendiamin | AC-11816 | CI 76065 | SCHEMBL33731 | 2, 5-diaminochlorobenzene | EN300-33942 | FT-0611657 | HSDB 4126 | 2-Chloro-(1, 4-phenylenediamine) | 2-Chloro-4-ph

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181505
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181505
• Canonical Smiles: C1=CC(=C(C=C1N)Cl)N
• IUPAC Name: 2-chlorobenzene-1,4-diamine
• InChIKey: MGLZGLAFFOMWPB-UHFFFAOYSA-N
• INCHI: 1S/C6H7ClN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2
• Isomeric SMILES: C1=CC(=C(C=C1N)Cl)N
• Molecular Weight: 142.59
• Reaxy-Rn: 2802557
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802557&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Chlorobenzenes Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Chlorobenzene - 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 aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: diamine - monochlorobenzenes

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 Sensitive
• Melt Point(°C): 65 °C
• Molecular Weight: 142.580 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.03 Da
• Monoisotopic Mass: 142.03 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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. Han Liu, Jun Zhang, Quanlong Xu, Hong Tao, Tingmin Di, Quanrong Deng, Shenggao Wang.  (2025)  Bi2WO6/COF S-scheme heterostructure photocatalyst for H2O2 production.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D4TA09216C]

2. Teng Wang, Sai Zhang, Jie Hu, Yong Xie, Haozhe Huang, Shunsheng Cao.  (2026)  In-situ growth of ultrathin COF layer on hollow spherical ZnO for promoting photocatalytic H2O2 production.  APPLIED CATALYSIS A-GENERAL,      [PMID:] [10.1016/j.apcata.2026.120974]