The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
3-Cyano-5-fluorobenzene-1-sulfonyl chloride - 95%, high purity , CAS No.1261644-49-8
Basic Description
Synonyms
AKOS006336644 | BS-15105 | SCHEMBL16235968 | ZQEROTOETXELJU-UHFFFAOYSA-N | AB75584 | 3-CYANO-5-FLUOROBENZENE-1-SULFONYLCHLORIDE | MFCD18394025 | EN300-365588 | 1261644-49-8 | 3-CYANO-5-FLUOROBENZENESULFONYL CHLORIDE | SY222080 | 3-CYANO-5-FLUOROBENZENE-1-
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonyl compounds
Intermediate Tree Nodes
Benzenesulfonyl halides
Direct Parent
Benzenesulfonyl chlorides
Alternative Parents
Benzonitriles Fluorobenzenes Aryl fluorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Nitriles Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonyl chloride - Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Nitrile - Carbonitrile - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - 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
Data sources
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.
Names and Identifiers
IUPAC Name
3-cyano-5-fluorobenzenesulfonyl chloride
INCHI
InChI=1S/C7H3ClFNO2S/c8-13(11,12)7-2-5(4-10)1-6(9)3-7/h1-3H
InChIKey
ZQEROTOETXELJU-UHFFFAOYSA-N
Smiles
C1=C(C=C(C=C1F)S(=O)(=O)Cl)C#N
Isomeric SMILES
C1=C(C=C(C=C1F)S(=O)(=O)Cl)C#N
Molecular Weight
219.62
Reaxy-Rn
38040669
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38040669&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
219.620 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
218.956 Da
Monoisotopic Mass
218.956 Da
Topological Polar Surface Area
66.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
328.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
H2304612