2,4-Dichloro-5-fluorobenzyl bromide - ≥97% , CAS No.261763-27-3

CAS: 261763-27-3 Cat. No.: D300660 Molecular Weight: 257.92 EC Number: 670-754-9

GRADE & PURITY ≥97%

Synonyms

2,4-Dichloro-5-fluorobenzyl bromide|261763-27-3|1-(bromomethyl)-2,4-dichloro-5-fluorobenzene|2,4-DICHLORO-5-FLUOROBENZYLBROMIDE|Benzene, 1-(bromomethyl)-2,4-dichloro-5-fluoro-|SCHEMBL488821|DTXSID10378843|4-NITRONICOTINICACIDN-OXIDE|MFCD01631381|AKOS01585

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 4-Dichloro-5-fluorobenzyl bromide | 261763-27-3 | 1-(bromomethyl)-2, 4-dichloro-5-fluorobenzene | 2, 4-DICHLORO-5-FLUOROBENZYLBROMIDE | Benzene, 1-(bromomethyl)-2, 4-dichloro-5-fluoro- | SCHEMBL488821 | DTXSID10378843 | 4-NITRONICOTINICACIDN-OXIDE | MFCD01631381 | AKOS01585

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761868
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761868
• Canonical Smiles: C1=C(C(=CC(=C1F)Cl)Cl)CBr
• IUPAC Name: 1-(bromomethyl)-2,4-dichloro-5-fluorobenzene
• InChIKey: SXAZGVVUQUTRIS-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrCl2F/c8-3-4-1-7(11)6(10)2-5(4)9/h1-2H,3H2
• Isomeric SMILES: C1=C(C(=CC(=C1F)Cl)Cl)CBr
• Molecular Weight: 257.92
• Reaxy-Rn: 18454141
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18454141&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: Benzyl bromides Fluorobenzenes Aryl fluorides Aryl chlorides Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl halide - Benzyl bromide - 1,3-dichlorobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Hydrocarbon derivative - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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

• Refractive Index: 1.5840
• Boil Point(°C): 94℃/1mm
• Molecular Weight: 257.910 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 255.886 Da
• Monoisotopic Mass: 255.886 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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