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

CAS: 4122-68-3 Cat. No.: C153889 분자식: C₈H₆Cl₂O₂ 분자량: 205.03 Beilstein Registry Number: 6(2)177 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥98%(T)

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%(T)

이름과 식별자

Pubchem Sid

508809511

정식 스마일

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

이성체 SMILES

C1=CC(=CC=C1OCC(=O)Cl)Cl

WGK 독일

3

UN 번호

3265

포장 그룹

III

분자량

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
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 굴절률: n20/D 1.5486 (lit.
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 165 °C/20 mmHg
• 녹는점(°C): 18 °C
• 분자량: 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