2,5-Dichlorobenzyl Bromide - ≥98%(GC) , CAS No.85482-13-9

CAS: 85482-13-9 Cat. No.: D136909 Summenformel: C₇H₅BrCl₂ Molekulargewicht: 239.92 EG-Nummer: 628-585-3

GRADE & PURITY ≥98%(GC)

Synonyms

D3548 | 2-(bromomethyl)-1,4-dichlorobenzene | 2-(bromomethyl)-1,4-dichloro-benzene | AM20041247 | SCHEMBL189771 | AKOS009156558 | A24712 | Benzene, 2-(bromomethyl)-1,4-dichloro- | UUVDOPTUDWJHFK-UHFFFAOYSA-N | DTXSID20393027 | MFCD00236034 | UUVDOPTUDWJHF

Storage

Room temperature

Shipped In

Normal

Übersicht

Product Application
2,5-Dichlorobenzyl bromide may be used in the synthesis of methyl 5-(2,5-dichlorobenzyloxy)-2-hydroxybenzoate and methyl 4-(2,5-dichlorobenzyloxy)-2-hydroxybenzoate via chemoselective alkylation of the hydroxyl group of the corresponding ester.

Specifications

Synonyme

D3548 | 2-(bromomethyl)-1,4-dichlorobenzene | 2-(bromomethyl)-1,4-dichloro-benzene | AM20041247 | SCHEMBL189771 | AKOS009156558 | A24712 | Benzene, 2-(bromomethyl)-1,4-dichloro- | UUVDOPTUDWJHFK-UHFFFAOYSA-N | DTXSID20393027 | MFCD00236034 | UUVDOPTUDWJHF

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504762584
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762584
• Kanonisches Lächeln: C1=CC(=C(C=C1Cl)CBr)Cl
• IUPAC Name: 2-(bromomethyl)-1,4-dichlorobenzene
• InChIKey: UUVDOPTUDWJHFK-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrCl2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
• Isomere SMILES: C1=CC(=C(C=C1Cl)CBr)Cl
• WGK Deutschland: 3
• Molekulargewicht: 239.92
• Reaxy-Rn: 637803
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637803&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Benzyl bromides Aryl chlorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl halide - Benzyl bromide - 1,4-dichlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 138 °C/14 mmHg
• Schmelzpunkt (°C): 42 °C
• Molekulargewicht: 239.920 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 237.895 Da
• Monoisotopic Mass: 237.895 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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