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1-(5-Bromo-4-chlorothiophen-2-yl)ethan-1-one - ≥95%, high purity , CAS No.123418-66-6

COA

Grade & Purity:

≥95%

Cas Number: 123418-66-6
Molecular Weight: 239.52
PubChem CID: 46911882

In stock

Item Number

E732895

Grouped product items
SKU	Size	Availability	Price	Qty
E732895-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
E732895-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90

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	2,3,5-trisubstituted thiophenes Aryl chlorides Aryl bromides Heteroaromatic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - 2,3,5-trisubstituted thiophene - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - 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	1-(5-bromo-4-chlorothiophen-2-yl)ethanone
INCHI	InChI=1S/C6H4BrClOS/c1-3(9)5-2-4(8)6(7)10-5/h2H,1H3
InChIKey	FSZXWJHCTQQQGZ-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC(=C(S1)Br)Cl
Isomeric SMILES	CC(=O)C1=CC(=C(S1)Br)Cl
PubChem CID	46911882
Molecular Weight	239.52

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	239.520 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	237.885 Da
Monoisotopic Mass	237.885 Da
Topological Polar Surface Area	45.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	153.000
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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