2'-Chloro-4'-(4-chlorophenoxy)acetophenone - ≥98%(GC) , CAS No.119851-28-4

CAS: 119851-28-4 Cat. No.: C123252 分子式: C₁₄H₁₀Cl₂O₂ 分子量: 281.13 EC番号: 601-639-3

GRADE & PURITY ≥98%(GC)

Synonyms

1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone | 2'-Chloro-4'-(4-chlorophenoxy)acetophenone | 4-Acetyl-3,4'-dichlorodiphenyl Ether | 1-[2-Chloro-4-(4-chlorophenoxy)phenyl]ethan-1-one | 4-Acetyl-3,4'-dichlorodiphenylether

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone | 2'-Chloro-4'-(4-chlorophenoxy)acetophenone | 4-Acetyl-3,4'-dichlorodiphenyl Ether | 1-[2-Chloro-4-(4-chlorophenoxy)phenyl]ethan-1-one | 4-Acetyl-3,4'-dichlorodiphenylether

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

488191057

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488191057

カノニカル・スマイル

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

IUPAC Name

1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone

InChIKey

BDTJIVUVQRVLLJ-UHFFFAOYSA-N

INCHI

1S/C14H10Cl2O2/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-8H,1H3

異性体SMILES

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

分子量

281.13

Reaxy-Rn

18824622

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18824622&ln=

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: Alkyl-phenylketones Diarylethers Acetophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Alkyl-phenylketone - Diaryl ether - Phenylketone - Acetophenone - Benzoyl - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Aryl ketone - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Ketone - Ether - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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

• 溶解度: Soluble in Methanol
• 融点（°C）: 58°C
• 分子量: 281.100 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 280.006 Da
• Monoisotopic Mass: 280.006 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 288.000
• 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

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 119851-28-4, the molecular formula is C14H10Cl2O2, and the molecular weight is 281.13 g/mol. InChIKey BDTJIVUVQRVLLJ-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.