1,2-Dichloro-3-iodobenzene - ≥97% , CAS No.2401-21-0

CAS: 2401-21-0 Cat. No.: D102431 Molecular Weight: 272.9 EC Number: 219-276-0

GRADE & PURITY ≥97%

Synonyms

AMY31903 | 2,3-Dichloro-1-iodobenzene | 2,3-dichloro iodobenzene | EINECS 219-276-0 | W-107359 | 1,2-Dichloro-3-iodobenzene | MFCD00001034 | 2,3-Dichloroiodobenzene | 2,3-dichloro-iodobenzene | benzene, 1,2-dichloro-3-iodo | Benzene, 1,2-dichloro-3-iodo-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

AMY31903 | 2, 3-Dichloro-1-iodobenzene | 2, 3-dichloro iodobenzene | EINECS 219-276-0 | W-107359 | 1, 2-Dichloro-3-iodobenzene | MFCD00001034 | 2, 3-Dichloroiodobenzene | 2, 3-dichloro-iodobenzene | benzene, 1, 2-dichloro-3-iodo | Benzene, 1, 2-dichloro-3-iodo-

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504754945
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754945
• Canonical Smiles: C1=CC(=C(C(=C1)I)Cl)Cl
• IUPAC Name: 1,2-dichloro-3-iodobenzene
• InChIKey: VGJKBWPZBVBXGI-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl2I/c7-4-2-1-3-5(9)6(4)8/h1-3H
• Isomeric SMILES: C1=CC(=C(C(=C1)I)Cl)Cl
• WGK Germany: 3
• Molecular Weight: 272.9
• Reaxy-Rn: 2247168
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2247168&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: Iodobenzenes Aryl iodides Aryl chlorides Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Iodobenzene - Aryl iodide - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organoiodide - Organochloride - Organohalogen compound - 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: Light sensitive；Heat sensitive
• Flash Point(°F): >110°C
• Flash Point(°C): >110°C
• Boil Point(°C): 123-126°C
• Melt Point(°C): 35-36°C
• Molecular Weight: 272.890 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 271.866 Da
• Monoisotopic Mass: 271.866 Da
• Topological Polar Surface Area: 0.000 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