4-Chlorobenzyl Bromide - ≥97%(GC) , CAS No.622-95-7

CAS: 622-95-7 Cat. No.: C135867 Summenformel: C₇H₆BrCl Molekulargewicht: 205.48 EG-Nummer: 210-760-7

GRADE & PURITY ≥97%(GC)

Synonyms

parachlorobenzyl bromide | para-chlorobenzyl bromide | 4-Chlorobenzyl bromide, 97% | 1-(Bromomethyl)-4-chlorobenzene # | 4-BROMO-1,2-EPOXY-BUTANE | alpha-Bromo-4-chlorotoluene | p-Chlorobenzyl bromide | 1-(Bromomethyl)-4-chlorobenzene | RAN8LE8F5N | AKOS0

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

4-Chlorobenzyl bromide undergoes carbonylation in the presence of dimer of chloro(1,5-cyclooctadiene)rhodium(I) to yield the corresponding phenylacetic acid. It can be synthesized by reacting 4-chlorobenzyl alcohol with bromodimethylsulfonium bromide (BDMS) It can also be synthesized by refluxing a mixture of 4-chlorobenzaldehyde, chlorotrimethylsilane, 1,1,3,3-tetramethyldisiloxane and lithium bromide.

Specifications

Synonyme

parachlorobenzyl bromide | para-chlorobenzyl bromide | 4-Chlorobenzyl bromide, 97% | 1-(Bromomethyl)-4-chlorobenzene # | 4-BROMO-1,2-EPOXY-BUTANE | alpha-Bromo-4-chlorotoluene | p-Chlorobenzyl bromide | 1-(Bromomethyl)-4-chlorobenzene | RAN8LE8F5N | AKOS0

Spezifikationen & Reinheit

≥97%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%(GC)

Namen und Kennungen

Pubchem Sid

508809507

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809507

Kanonisches Lächeln

C1=CC(=CC=C1CBr)Cl

IUPAC Name

1-(bromomethyl)-4-chlorobenzene

InChIKey

KQNBRMUBPRGXSL-UHFFFAOYSA-N

INCHI

1S/C7H6BrCl/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

Isomere SMILES

C1=CC(=CC=C1CBr)Cl

WGK Deutschland

3

Molekulargewicht

205.48

Reaxy-Rn

606497

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606497&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Chlorobenzenes Aryl chlorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Halobenzene - Chlorobenzene - 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 benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
• 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

• Löslichkeit: Insoluble in water.
• Empfindlichkeit: Air & light & heat & Moisture sensitive
• Siedepunkt (°C): 110 °C/13 mmHg
• Schmelzpunkt (°C): 47.0 to 51.0 °C
• Molekulargewicht: 205.480 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 203.934 Da
• Monoisotopic Mass: 203.934 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 77.000
• 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