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

CAS: 4122-68-3 Cat. No.: C153889 Summenformel: C₈H₆Cl₂O₂ Molekulargewicht: 205.03 Beilstein Registry Number: 6(2)177 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%(T)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(T)

Namen und Kennungen

• Pubchem Sid: 508809511
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=CC=C1OCC(=O)Cl)Cl
• WGK Deutschland: 3
• UN-Nummer: 3265
• Verpackungsgruppe: III
• Molekulargewicht: 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
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Brechungsindex: n20/D 1.5486 (lit.
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 165 °C/20 mmHg
• Schmelzpunkt (°C): 18 °C
• Molekulargewicht: 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