4-Chlorophenoxyacetyl Chloride - ≥98%(T) , CAS No.4122-68-3

CAS: 4122-68-3 Cat. No.: C153889 Fórmula: C₈H₆Cl₂O₂ Peso molecular: 205.03 Beilstein Registry Number: 6(2)177 Número CE: 223-923-2

GRADE & PURITY ≥98%(T)

Synonyms

4-chlorophenoxyacetylchloride | D89302 | NSC 20549 | p-Chlorophenoxyacetyl chloride | Ellipticine, 9-methoxy- | EN300-24757 | NSC1906 | InChI=1/C8H6Cl2O2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2 | UNII-PZT4V53U3L | VRBVHQUSAOKVDH-UHFFFAOYSA- | (4-Chlorophe

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

Product Application：

4-Chlorophenoxyacetyl chloride was used in the preparation of:
substituted acetophenone derivatives
2-(4-chlorophenoxyacetylamino)-3-ethoxycarbonyl[2,3-b]quinuclidine
2-(4-chlorophenoxy)-N′-[2-(4-chlorophenoxy)acetyl]acetohydrazide monohydrate

Specifications

Sinónimos

4-chlorophenoxyacetylchloride | D89302 | NSC 20549 | p-Chlorophenoxyacetyl chloride | Ellipticine, 9-methoxy- | EN300-24757 | NSC1906 | InChI=1/C8H6Cl2O2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2 | UNII-PZT4V53U3L | VRBVHQUSAOKVDH-UHFFFAOYSA- | (4-Chlorophe

Especificações e pureza

≥98%(T)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%(T)

Nomes e identificadores

• Pubchem Sid: 508809511
• Sorrisos canónicos: C1=CC(=CC=C1OCC(=O)Cl)Cl
• IUPAC Name: 2-(4-chlorophenoxy)acetyl chloride
• InChIKey: VRBVHQUSAOKVDH-UHFFFAOYSA-N
• INCHI: 1S/C8H6Cl2O2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2
• SMILES isoméricas: C1=CC(=CC=C1OCC(=O)Cl)Cl
• WGK Alemanha: 3
• Número UN: 3265
• Grupo de embalagem: III
• Peso molecular: 205.03
• Beilstein: 6(2)177
• Reaxy-Rn: 609718
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=609718&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Acyl chloride - Acyl halide - Ether - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Índice de refração: n20/D 1.5486 (lit.
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 165 °C/20 mmHg
• Ponto de fusão (°C): 18 °C
• Peso molecular: 205.030 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.974 Da
• Monoisotopic Mass: 203.974 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153.000
• 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