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

CAS: 622-95-7 Cat. No.: C135867 Formula: C₇H₆BrCl Peso molecolare: 205.48 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

508809507

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

C1=CC(=CC=C1CBr)Cl

WGK Germania

3

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Sensibilità: Air & light & heat & Moisture sensitive
• Punto di ebollizione (°C): 110 °C/13 mmHg
• Punto di fusione (°C): 47.0 to 51.0 °C
• Peso molecolare: 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