6-Bromo-2,4,5-trichlorophenol - ≥97% , CAS No.4524-78-1

CAS: 4524-78-1 Cat. No.: B331711 分子式: BrC₆H(Cl)₃OH 分子量: 276.34 EC番号: 621-195-4

GRADE & PURITY ≥97%

Synonyms

6-Bromo-2,4,5-trichlorophenol | FT-0609786 | FT-0609788 | GS-0595 | 2-bromo-3,4,6-trichlorophenol | 6-Bromo-2,4,5-trichlorophenol, 98% | GEO-00592 | DTXSID80377727 | MFCD03093915 | AKOS005259762

Storage

Room temperature

Shipped In

Normal

概要

6-bromo-2,4,5-trichlorophenol (BrTriClP), also known as 2-bromo-3,4,6-trichlorophenol, is an brominated persistent organic pollutant. Its molecular structure has been analyzed based on its X-ray absorption fine structure (EXAFS) spectroscopy spectrum.

Specifications

同義語

6-Bromo-2,4,5-trichlorophenol | FT-0609786 | FT-0609788 | GS-0595 | 2-bromo-3,4,6-trichlorophenol | 6-Bromo-2,4,5-trichlorophenol, 98% | GEO-00592 | DTXSID80377727 | MFCD03093915 | AKOS005259762

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488193411

カノニカル・スマイル

C1=C(C(=C(C(=C1Cl)Cl)Br)O)Cl

IUPAC Name

2-bromo-3,4,6-trichlorophenol

InChIKey

IFXJBIXHNZHYGK-UHFFFAOYSA-N

INCHI

1S/C6H2BrCl3O/c7-4-5(10)2(8)1-3(9)6(4)11/h1,11H

異性体SMILES

C1=C(C(=C(C(=C1Cl)Cl)Br)O)Cl

WGKドイツ

3

分子量

276.34

Reaxy-Rn

1955449

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1955449&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 P-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: P-chlorophenols
• Alternative Parents: O-chlorophenols O-bromophenols M-chlorophenols Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Organooxygen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-chlorophenol - 3-chlorophenol - 2-bromophenol - 2-chlorophenol - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as p-chlorophenols. These are chlorophenols carrying a iodine at the C4 position of the benzene ring.
• 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

化学的性質と物理的性質

• 融点（°C）: 84-87 °C (lit.)
• 分子量: 276.300 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 273.835 Da
• Monoisotopic Mass: 273.835 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 146.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

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 4524-78-1, the molecular formula is C6H2BrCl3O, and the molecular weight is 276.34 g/mol. InChIKey IFXJBIXHNZHYGK-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.