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4-Acetamido-3-chlorobenzenesulfonyl chloride - 95%, high purity , CAS No.16761-18-5

COA

Grade & Purity:

≥95%

Cas Number: 16761-18-5
Molecular Weight: 268.1
PubChem CID: 282749

In stock

Item Number

A181968

Grouped product items
SKU	Size	Availability	Price	Qty
A181968-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$78.90
A181968-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$266.90

Discover 4-Acetamido-3-chlorobenzenesulfonyl chloride by Aladdin Scientific in 95% for only $78.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	16761-18-5 \| 4-acetamido-3-chlorobenzenesulfonyl chloride \| 4-acetamido-3-chlorobenzene-1-sulfonyl chloride \| Benzenesulfonyl chloride, 4-(acetylamino)-3-chloro- \| 3-Chloro-4-Acetamidobenzene-1-Sulfonyl Chloride \| 4-acetamido-3-chlorobenzenesulphonyl chloride \| 4-(ac
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Acetanilides
        Level6 Haloacetanilides
        Level7 O-haloacetanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Acetanilides - Haloacetanilides
Direct Parent	O-haloacetanilides
Alternative Parents	Benzenesulfonyl chlorides N-acetylarylamines Chlorobenzenes Aryl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-haloacetanilide - Benzenesulfonyl chloride - Benzenesulfonyl group - N-acetylarylamine - N-arylamide - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Acetamide - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-substituted with a halogen atom.
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-acetamido-3-chlorobenzenesulfonyl chloride
INCHI	InChI=1S/C8H7Cl2NO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)
InChIKey	ALOQYFFSHSEVJH-UHFFFAOYSA-N
Smiles	CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl
Isomeric SMILES	CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl
Molecular Weight	268.1
Reaxy-Rn	3096113
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3096113&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	268.120 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	266.952 Da
Monoisotopic Mass	266.952 Da
Topological Polar Surface Area	71.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	338.000
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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