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5-((4-Chlorobenzamido)methyl)thiophene-2-sulfonyl chloride - ≥95%, high purity , CAS No.166964-34-7

COA

Grade & Purity:

≥95%

Cas Number: 166964-34-7
Molecular Weight: 350.2
PubChem CID: 2735713

In stock

Item Number

M699948

Grouped product items
SKU	Size	Availability	Price	Qty
M699948-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,083.90

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 2,5-disubstituted thiophenes Chlorobenzenes Aryl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen 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	5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
INCHI	InChI=1S/C12H9Cl2NO3S2/c13-9-3-1-8(2-4-9)12(16)15-7-10-5-6-11(19-10)20(14,17)18/h1-6H,7H2,(H,15,16)
InChIKey	HWAXMFYECKQLDX-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(=O)NCC2=CC=C(S2)S(=O)(=O)Cl)Cl
Isomeric SMILES	C1=CC(=CC=C1C(=O)NCC2=CC=C(S2)S(=O)(=O)Cl)Cl
PubChem CID	2735713
Molecular Weight	350.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	350.200 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	348.94 Da
Monoisotopic Mass	348.94 Da
Topological Polar Surface Area	99.900 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	444.000
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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