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2，2，2-Trichloro-1-(4-iodo-1H-pyrrol-2-yl)ethanone - ≥95%, high purity , CAS No.72652-33-6

COA

Grade & Purity:

≥95%

Cas Number: 72652-33-6
Molecular Weight: 338.36
PubChem CID: 11681602

In stock

Item Number

T726189

Grouped product items
SKU	Size	Availability	Price
T726189-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$202.90
T726189-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$394.90
T726189-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$788.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Aryl alkyl ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones
Direct Parent	Aryl alkyl ketones
Alternative Parents	Substituted pyrroles Aryl iodides Heteroaromatic compounds Alpha-chloroketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - Aryl halide - Aryl iodide - Substituted pyrrole - Alpha-haloketone - Alpha-chloroketone - Pyrrole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Names and Identifiers

IUPAC Name	2,2,2-trichloro-1-(4-iodo-1H-pyrrol-2-yl)ethanone
INCHI	InChI=1S/C6H3Cl3INO/c7-6(8,9)5(12)4-1-3(10)2-11-4/h1-2,11H
InChIKey	PAVKKFAIAQPCRG-UHFFFAOYSA-N
Smiles	C1=C(NC=C1I)C(=O)C(Cl)(Cl)Cl
Isomeric SMILES	C1=C(NC=C1I)C(=O)C(Cl)(Cl)Cl
PubChem CID	11681602
Molecular Weight	338.36

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	338.400 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	336.832 Da
Monoisotopic Mass	336.832 Da
Topological Polar Surface Area	32.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	194.000
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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