4-Chlorodiphenyl ether - ≥97% , CAS No.7005-72-3

CAS: 7005-72-3 Cat. No.: C769250 分子式: ClC₆H₄OC₆H₅ 分子量: 204.65 EC番号: 230-281-7

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

4-Chlorodiphenyl ether is halogenated diphenyl ether. It is an estrogenic contaminant and its effect on the growth of endometrial implants has been investigated.Dehalogenations of 4-chlorodiphenyl ether at 375°C over CaO/Ca(OH)2 has been reported.

Purpose：

4-Chlorodiphenyl ether can be used in the preparation of 4′-chloro-2,2′,3,3′,4,5,5′,6,6′-nonabromodiphenyl ether (Cl-BDE-208), an internal standard used in the analysis of highly brominated diphenyl ethers.

Specifications

仕様と純度

≥97%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

カノニカル・スマイル

C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl

IUPAC Name

1-chloro-4-phenoxybenzene

InChIKey

PGPNJCAMHOJTEF-UHFFFAOYSA-N

INCHI

1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H

異性体SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl

WGKドイツ

3

分子量

204.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

化学的性質と物理的性質

• 感度: light & Moisture sensitive
• 引火点（°F）: >235.4 °F
• 引火点（°C）: >113 °C
• 沸点（°C）: 161-162 °C/19 mmHg (lit.)
• 分子量: 204.650 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 204.034 Da
• Monoisotopic Mass: 204.034 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 158.000
• 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