2,4-Dichlorophenethyl bromide - ≥96% , CAS No.108649-59-8

CAS: 108649-59-8 Cat. No.: D165846 Fórmula: C₈H₇BrCl₂ Peso molecular: 253.95 Número EC: 626-131-9

GRADE & PURITY ≥96%

Synonyms

AB92909 | MFCD07369774 | C77752 | FT-0707039 | A895208 | 2,4-Dichlorophenethyl bromide | BJTSTVKJPXWNIY-UHFFFAOYSA-N | SCHEMBL1779915 | 2 4-dichlorophenethyl bromide | AKOS014197344 | 2,4-Dichlorophenethyl bromide, 96% | 1-(2-Bromoethyl)-2,4-dichlorobenze

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AB92909 | MFCD07369774 | C77752 | FT-0707039 | A895208 | 2,4-Dichlorophenethyl bromide | BJTSTVKJPXWNIY-UHFFFAOYSA-N | SCHEMBL1779915 | 2 4-dichlorophenethyl bromide | AKOS014197344 | 2,4-Dichlorophenethyl bromide, 96% | 1-(2-Bromoethyl)-2,4-dichlorobenze

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488196854
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196854
• Sonrisas canónicas: C1=CC(=C(C=C1Cl)Cl)CCBr
• IUPAC Name: 1-(2-bromoethyl)-2,4-dichlorobenzene
• InChIKey: BJTSTVKJPXWNIY-UHFFFAOYSA-N
• INCHI: 1S/C8H7BrCl2/c9-4-3-6-1-2-7(10)5-8(6)11/h1-2,5H,3-4H2
• Isómeros SMILES: C1=CC(=C(C=C1Cl)Cl)CCBr
• WGK Alemania: 3
• Número ONU: 2922
• Grupo de embalaje: III
• Peso molecular: 253.95
• Reaxy-Rn: 7127563
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7127563&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - 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 dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Peso molecular: 253.950 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 251.911 Da
• Monoisotopic Mass: 251.911 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 108649-59-8, the molecular formula is C8H7BrCl2, and the molecular weight is 253.95 g/mol. InChIKey BJTSTVKJPXWNIY-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.