4-Chlorophenethyl bromide - ≥97% , CAS No.6529-53-9

CAS: 6529-53-9 Cat. No.: C121844 Formula: ClC₆H₄CH₂CH₂Br Molecular Weight: 219.51 EC Number: 613-774-5

GRADE & PURITY ≥97%

Synonyms

2-(4-chlorophenyl)ethylbromide | AKOS011897740 | 4-Chlorophenethyl bromide, 97% | EN300-250166 | FT-0647649 | 2-(4'-chlorophenyl)ethyl bromide | 4-Chlorophenethyl bromide | BCP09513 | AC-8944 | SCHEMBL314167 | p-Chlorophenethyl bromide | SY101293 | CL8864

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-(4-chlorophenyl)ethylbromide | AKOS011897740 | 4-Chlorophenethyl bromide, 97% | EN300-250166 | FT-0647649 | 2-(4'-chlorophenyl)ethyl bromide | 4-Chlorophenethyl bromide | BCP09513 | AC-8944 | SCHEMBL314167 | p-Chlorophenethyl bromide | SY101293 | CL8864

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488182797
• Canonical Smiles: C1=CC(=CC=C1CCBr)Cl
• IUPAC Name: 1-(2-bromoethyl)-4-chlorobenzene
• InChIKey: YAFMYKFAUNCQPU-UHFFFAOYSA-N
• INCHI: 1S/C8H8BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
• Isomeric SMILES: C1=CC(=CC=C1CCBr)Cl
• WGK Germany: 2
• Molecular Weight: 219.51
• Reaxy-Rn: 1907115
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907115&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Chemical and Physical Properties

• Refractive Index: 1.5715
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Boil Point(°C): 76-78°C/0.3mmHg
• Molecular Weight: 219.500 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 217.95 Da
• Monoisotopic Mass: 217.95 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.300
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6529-53-9, the molecular formula is C8H8BrCl, and the molecular weight is 219.51 g/mol. InChIKey YAFMYKFAUNCQPU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

How should this product be stored?

Store at room temperature.