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4,4'-Dichlorobenzil - >98.0%(GC), high purity , CAS No.3457-46-3

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4,4'-Dichlorobenzil - >98.0%(GC), high purity , CAS No.3457-46-3

1 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 3457-46-3
Molecular Weight: 279.12
MDL number: MFCD00018685
PubChem CID: 18946
PubChem SID: 504752916

In stock

Item Number

D154589

Grouped product items
SKU	Size	Availability	Price
D154589-250mg	250mg	3	$24.90
D154589-1g	1g	3	$76.90
D154589-5g	5g	3	$269.90
D154589-25g	25g	4	$1,214.90
D154589-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$4,370.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	bis(4-chlorophenyl)ethane-1,2-dione \| HMS3740A17 \| 1,2-BIS(4-CHLOROPHENYL)ETHAN-1,2-DIONE \| EN300-04843 \| 1,2-Bis(4-chlorophenyl)-1,2-ethanedione;Bis(4-chlorophenyl)ethanedione \| Benzil-based compound, 9 \| EINECS 222-387-7 \| 4,4//'-Dichlorobenzil \| DTXSID
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Stilbenes

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Stilbenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Stilbenes
Alternative Parents	Benzoyl derivatives Aryl ketones Chlorobenzenes Aryl chlorides Alpha-diketones Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Stilbene - Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Alpha-diketone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketone - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
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

Associated Targets(Human)

CES1 Tchem Liver carboxylesterase 1 (3 Activities)

Discover Target: CES1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CES2 Tchem Cocaine esterase (3 Activities)

Discover Target: CES2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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

CES2 Tchem Carboxylesterase 2 (583 Activities)

Discover Target: CES2

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

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504752916
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752916
IUPAC Name	1,2-bis(4-chlorophenyl)ethane-1,2-dione
INCHI	InChI=1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey	XMAWUPHYEABFDR-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Cl)Cl
Isomeric SMILES	C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Cl)Cl
Molecular Weight	279.12
Reaxy-Rn	523139
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=523139&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
F2327186	Certificate of Analysis	Feb 14, 2022	D154589
F2327194	Certificate of Analysis	Feb 14, 2022	D154589
D2227064	Certificate of Analysis	Feb 14, 2022	D154589
D2227074	Certificate of Analysis	Feb 14, 2022	D154589
D2227066	Certificate of Analysis	Feb 14, 2022	D154589
D2227084	Certificate of Analysis	Feb 14, 2022	D154589
D2227071	Certificate of Analysis	Feb 14, 2022	D154589

Chemical and Physical Properties

Boil Point(°C)	220°C/3mmHg(lit.)
Melt Point(°C)	199 °C
Molecular Weight	279.100 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	277.99 Da
Monoisotopic Mass	277.99 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	282.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jing Wang, Lu Ren, Chang Liu, Yanqi Liu, Yujie Shang, Yulu Zhang, Dawei Zhang. (2024) Colorimetric Fluorescence of a 2,4,5-Triaryl Imidazole-Based Sensor for the Selective Detection of Iron. ChemistrySelect, 9 (24): (e202400499).

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