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

CAS: 766-80-3 Cat. No.: C106489 Peso molecular: 205.48 Beilstein Registry Number: 636504 Número EC: 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,Argon charged,Room temperature

Shipped In

Normal

Descripción general

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC(=CC(=C1)Cl)CBr
• WGK Alemania: 3
• Número ONU: 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
    • Clase Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Decomposes in water.
• Sensibilidad: Light &Moisture sensitive
• Índice de refracción: 1.587-1.589
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 98 °C
• Punto de ebullición (°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