4-Chlorophenacyl Chloride (Cas No 937-20-2) ≥98.0% high purity and research grade

4-Chlorophenacyl Chloride - ≥98.0% , CAS No.937-20-2

CAS: 937-20-2 Cat. No.: C153947 Molecular Weight: 189.04 Beilstein Registry Number: 7(4)644 EC Number: 213-323-9

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4-Chlorophenacyl Chloride - ≥98.0% CAS No(937-20-2) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98.0%

Synonyms

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥98.0% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

2,4′-Dichloroacetophenone is a substituted α-chloro aromatic ketone.2 Its 35/37Cl WURST-QCPMG NMR spectra has been investigated.
2,4′-Dichloroacetophenone (4-chlorophenacyl chloride) may be used in the synthesis of chiral chlorohydrin by asymmetric reduction. It may be used as an alkylating agent in the Williamson reaction of 7-hydroxycoumarins to form substituted oxoethers.

Specifications

Synonyms

Specifications & Purity

≥98.0%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98.0%

Names and Identifiers

Canonical Smiles	C1=CC(=CC=C1C(=O)CCl)Cl
IUPAC Name	2-chloro-1-(4-chlorophenyl)ethanone
InChIKey	FWDFNLVLIXAOMX-UHFFFAOYSA-N
INCHI	1S/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
Isomeric SMILES	C1=CC(=CC=C1C(=O)CCl)Cl
WGK Germany	3
Molecular Weight	189.04
Beilstein	7(4)644
Reaxy-Rn	637861
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637861&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Alpha-chloroketones Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Alpha-chloroketone - Alkyl chloride - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	Not available
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

3D Structure

Associated Targets(Human)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

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MAP2K1 Tclin Dual specificity mitogen-activated protein kinase kinase 1 (4127 Activities)

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Associated Targets(non-human)

Mapk1 Mitogen-activated protein kinase 1 (40 Activities)

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Camkk2 Calcium/calmodulin-dependent protein kinase kinase 2 (3 Activities)

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Chrm1 Muscarinic acetylcholine receptor (3770 Activities)

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Adra2c Adrenergic receptor alpha-2 (3313 Activities)

Discover Target: Adra2c

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Mechanisms of Action

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	270°C
Melt Point(°C)	99-103°C
Molecular Weight	189.040 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	187.98 Da
Monoisotopic Mass	187.98 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139.000
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

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