2,6-Dichloroaniline - analytical standard , CAS No.608-31-1

CAS: 608-31-1 Cat. No.: D135651 Molecular Weight: 162.01 Beilstein Registry Number: 12626 EC Number: 210-160-5

GRADE & PURITY Analytical standard

Synonyms

2,6-DICHLOROANILINE|608-31-1|Benzenamine, 2,6-dichloro-|2,6-dichlorobenzenamine|2,6-Dichloranilin|2,6-dichloro aniline|KG3RW7NW6M|2,6-Dichloro-Phenylamine|CHEBI:46630|2,6-DICHLOROANILINE-3,4,5-D3|2,6-dichlorophenylamine|EINECS 210-160-5|Clonidine Hydrochl

Storage

Room temperature

Shipped In

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Specifications

Synonyms

2, 6-DICHLOROANILINE | 608-31-1 | Benzenamine, 2, 6-dichloro- | 2, 6-dichlorobenzenamine | 2, 6-Dichloranilin | 2, 6-dichloro aniline | KG3RW7NW6M | 2, 6-Dichloro-Phenylamine | CHEBI:46630 | 2, 6-DICHLOROANILINE-3, 4, 5-D3 | 2, 6-dichlorophenylamine | EINECS 210-160-5 | Clonidine Hydrochl

Specifications & Purity

analytical standard

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C(=C1)Cl)N)Cl
• IUPAC Name: 2,6-dichloroaniline
• InChIKey: JDMFXJULNGEPOI-UHFFFAOYSA-N
• INCHI: 1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)N)Cl
• Molecular Weight: 162.01
• Beilstein: 12626
• Reaxy-Rn: 775084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775084&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 - 1,3-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: dichloroaniline

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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 244°F
• Flash Point(°C): 118°C
• Boil Point(°C): 97°C/5mm Hg
• Melt Point(°C): 36-38°C
• Molecular Weight: 162.010 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.98 Da
• Monoisotopic Mass: 160.98 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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. Yunping Zhoujin, Yuping Li, Mingtao Zhang, Sean Parkin, Ju Guo, Tonglei Li, Faquan Yu, Sihui Long.  (2021)  Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems.  CRYSTENGCOMM,  24  (3): (681-690).  [PMID:] [10.1039/D1CE01407B]

2. Mei-jun Chen, Hai-lin Yang, Ya-min Si, Qian Tang, Cheuk-fai Chow, Cheng-bin Gong.  (2021)  A hollow visible-light-responsive surface molecularly imprinted polymer for the detection of chlorpyrifos in vegetables and fruits.  FOOD CHEMISTRY,      [PMID:33813158] [10.1016/j.foodchem.2021.129656]

3. Shuxin Tang, Yating Zhang, Jun Xia, Jing Qi, Fan Tang, Fei Zhai, Liqi Dong.  (2025)  A tetra-ortho-Chlorinated Azobenzene Molecule for Visible-Light Photon Energy Conversion and Storage.  MOLECULES,  30  (11): (2333).  [PMID:40509220] [10.3390/molecules30112333]