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Piperazine-1，4-diylbis((4-chlorophenyl)methanone) - ≥95%, high purity , CAS No.107785-63-7

COA

Grade & Purity:

≥95%

Cas Number: 107785-63-7
Molecular Weight: 363.24
PubChem CID: 258322

In stock

Item Number

P692093

Grouped product items
SKU	Size	Availability	Price	Qty
P692093-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$25.90
P692093-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$119.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 4-halobenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	4-halobenzoic acids and derivatives
Alternative Parents	Benzamides Benzoyl derivatives Chlorobenzenes Piperazines Aryl chlorides Tertiary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Chlorobenzene - Piperazine - 1,4-diazinane - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
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

Names and Identifiers

IUPAC Name	[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
INCHI	InChI=1S/C18H16Cl2N2O2/c19-15-5-1-13(2-6-15)17(23)21-9-11-22(12-10-21)18(24)14-3-7-16(20)8-4-14/h1-8H,9-12H2
InChIKey	UXYNNMHHFGAVAK-UHFFFAOYSA-N
Smiles	C1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl
Isomeric SMILES	C1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl
PubChem CID	258322
Molecular Weight	363.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	363.200 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	362.059 Da
Monoisotopic Mass	362.059 Da
Topological Polar Surface Area	40.600 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	408.000
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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