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2，2，2-Trifluoro-1-(1H-Pyrrol-3-Yl)Ethanone - ≥95%, high purity , CAS No.130408-89-8

COA

Grade & Purity:

≥95%

Cas Number: 130408-89-8
Molecular Weight: 163.1
PubChem CID: 14890897

In stock

Item Number

T728129

Grouped product items
SKU	Size	Availability	Price	Qty
T728129-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90

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 Vinylogous amides Heteroaromatic compounds Alpha-haloketones Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - Substituted pyrrole - Pyrrole - Alpha-haloketone - Vinylogous amide - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - 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-trifluoro-1-(1H-pyrrol-3-yl)ethanone
INCHI	InChI=1S/C6H4F3NO/c7-6(8,9)5(11)4-1-2-10-3-4/h1-3,10H
InChIKey	RJDXBZJGMUWDDH-UHFFFAOYSA-N
Smiles	C1=CNC=C1C(=O)C(F)(F)F
Isomeric SMILES	C1=CNC=C1C(=O)C(F)(F)F
PubChem CID	14890897
Molecular Weight	163.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	163.100 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	163.024 Da
Monoisotopic Mass	163.024 Da
Topological Polar Surface Area	32.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	166.000
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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