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4-Fluorobenzenesulfonyl isocyanate - 95%, high purity , CAS No.3895-25-8
Discover 4-Fluorobenzenesulfonyl isocyanate by Aladdin Scientific in 95% for only $84.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
DTXSID10369872 | AKOS015916427 | 4-Fluorobenzene-1-sulfonyl isocyanate | 4-Fluorobenzenesulfonyl isocyanate, 95% | p-fluorobenzenesulfonyl isocyanate | FHMRJRSOWRCSKA-UHFFFAOYSA-N | 4-FLUOROphenylsulfonylisoCYANATE | 4-fluoro-N-(oxomethylidene)benzenesulf
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds Sulfonyl isocyanates Fluorobenzenes Aryl fluorides Organosulfonic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonamide - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Sulfonyl isocyanate - Aryl fluoride - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
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
4-fluoro-N-(oxomethylidene)benzenesulfonamide
INCHI
InChI=1S/C7H4FNO3S/c8-6-1-3-7(4-2-6)13(11,12)9-5-10/h1-4H
InChIKey
FHMRJRSOWRCSKA-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1F)S(=O)(=O)N=C=O
Isomeric SMILES
C1=CC(=CC=C1F)S(=O)(=O)N=C=O
WGK Germany
3
Molecular Weight
201.17
Reaxy-Rn
2212423
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212423&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
235.4 °F
Flash Point(°C)
113 °C
Melt Point(°C)
33-38 °C (lit.)
Molecular Weight
201.180 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
200.99 Da
Monoisotopic Mass
200.99 Da
Topological Polar Surface Area
72.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
307.000
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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