1-Bromo-2,4-dichlorobenzene - ≥98% , CAS No.1193-72-2

CAS: 1193-72-2 Cat. No.: B101631 Molecular Weight: 225.9 EC Number: 214-778-6

GRADE & PURITY ≥98%

Synonyms

Benzene, 1-bromo-2,4-dichloro- | W-108515 | FT-0610056 | AM20060135 | B2187 | Chloroiodoquine | PB47597 | 1-(4-Chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzo[d]imidazole | InChI=1/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3H | 4-Bromo-1,3-dichlorobenzene | NAB

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Application：

1-Bromo-2,4-dichlorobenzene is used to produce 2,4,4'-trichloro-biphenyl. This reaction will need aq. Na2CO3 and solvents dioxane, ethanol. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Specifications

Synonyms

Benzene, 1-bromo-2, 4-dichloro- | W-108515 | FT-0610056 | AM20060135 | B2187 | Chloroiodoquine | PB47597 | 1-(4-Chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzo[d]imidazole | InChI=1/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3H | 4-Bromo-1, 3-dichlorobenzene | NAB

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184619
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184619
• Canonical Smiles: C1=CC(=C(C=C1Cl)Cl)Br
• IUPAC Name: 1-bromo-2,4-dichlorobenzene
• InChIKey: ISHYFWKKWKXXPL-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3H
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)Br
• WGK Germany: 3
• Molecular Weight: 225.9
• Reaxy-Rn: 1635733
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1635733&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: Bromobenzenes Aryl chlorides Aryl bromides Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Bromobenzene - Aryl halide - Aryl chloride - Aryl bromide - Hydrocarbon derivative - Organochloride - Organobromide - 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

• Solubility: Slightly soluble in water
• Sensitivity: Air Sensitive
• Freezing Point(°C): 24 °C
• Flash Point(°F): 208.4 °F
• Flash Point(°C): 98 °C
• Boil Point(°C): 235 °C
• Melt Point(°C): 26-30°C
• Molecular Weight: 225.890 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 223.88 Da
• Monoisotopic Mass: 223.88 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