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4-(chlorosulfonyl)-3-fluorobenzoic acid - 97%, high purity , CAS No.244606-33-5

COA

Grade & Purity:

≥97%

Cas Number: 244606-33-5
Molecular Weight: 238.61
PubChem CID: 11310971

In stock

Item Number

C175876

Grouped product items
SKU	Size	Availability	Price	Qty
C175876-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$630.90

Discover 4-(chlorosulfonyl)-3-fluorobenzoic acid by Aladdin Scientific in 97% for only $630.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-(chlorosulfonyl)-3-fluorobenzoic acid \| 244606-33-5 \| MFCD19201165 \| 4-chlorosulfonyl-3-fluorobenzoic acid \| SCHEMBL3160473 \| BFEPIUXQMZTCQM-UHFFFAOYSA-N \| AMY34894 \| AKOS006336619 \| 4-(chlorosulfonyl)-3-fluorobenzoicacid \| SB21525 \| AS-53983 \| SY100344 \| CS-0051165 \| EN300-9222
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonyl compounds
      - Level5 Benzenesulfonyl halides
        Level6 Benzenesulfonyl chlorides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Benzenesulfonyl halides
Direct Parent	Benzenesulfonyl chlorides
Alternative Parents	Halobenzoic acids 3-halobenzoic acids Benzoic acids Benzoyl derivatives Fluorobenzenes Aryl fluorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl chloride - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl chlorides. These are aromatic compounds containing a benzenesulfonyl group, where the sulfonyl moiety is singly boned to a chloride 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-chlorosulfonyl-3-fluorobenzoic acid
INCHI	InChI=1S/C7H4ClFO4S/c8-14(12,13)6-2-1-4(7(10)11)3-5(6)9/h1-3H,(H,10,11)
InChIKey	BFEPIUXQMZTCQM-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(=O)O)F)S(=O)(=O)Cl
Isomeric SMILES	C1=CC(=C(C=C1C(=O)O)F)S(=O)(=O)Cl
Molecular Weight	238.61
Reaxy-Rn	14291461
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14291461&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	238.620 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	237.95 Da
Monoisotopic Mass	237.95 Da
Topological Polar Surface Area	79.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	323.000
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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