3-Chlorobenzyl bromide - ≥97% , CAS No.766-80-3

CAS: 766-80-3 Cat. No.: C106489 Fórmula: C₇H₆BrCl Peso molecular: 205.48 Beilstein Registry Number: 636504 Número CE: 212-171-0

GRADE & PURITY ≥97%

Synonyms

DTXSID40227411 | InChI=1/C7H6BrCl/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 | PS-10048 | 3-Chlorobenzyl bromide, 97% | Toluene, alpha-bromo-m-chloro- | FT-0615475 | 1-(bromo-methyl)-3-chlorobenzene | 1-(Bromomethyl)-3-chlorobenzene | 1-(bromomethyl)-3-chloro-benzene

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Visão geral

3-Chlorobenzyl bromide reacts with aminoethanol and NaH to yield aminoethyl 3-chlorobenzyl ether
3-Chlorobenzyl bromide was used in the synthesis of symmetrical and unsymmetrical benzyl thioethers. It was used as starting reagent during the synthesis of 1-(3-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole dihydrochloride

Specifications

Sinónimos

DTXSID40227411 | InChI=1/C7H6BrCl/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 | PS-10048 | 3-Chlorobenzyl bromide, 97% | Toluene, alpha-bromo-m-chloro- | FT-0615475 | 1-(bromo-methyl)-3-chlorobenzene | 1-(Bromomethyl)-3-chlorobenzene | 1-(bromomethyl)-3-chloro-benzene

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528758772

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528758772

Sorrisos canónicos

C1=CC(=CC(=C1)Cl)CBr

IUPAC Name

1-(bromomethyl)-3-chlorobenzene

InChIKey

LZIYAIRGDHSVED-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

C1=CC(=CC(=C1)Cl)CBr

WGK Alemanha

3

Número UN

3265

Peso molecular

205.48

Beilstein

636504

Reaxy-Rn

636504

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636504&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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Decomposes in water.
• Sensibilidade: Light &Moisture sensitive
• Índice de refração: 1.587-1.589
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 98 °C
• Ponto de ebulição (°C): 109-110°C
• Peso molecular: 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: 85.000
• 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