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2-Bromo-4-fluorothioanisole - 98%, high purity , CAS No.91524-70-8
Discover 2-Bromo-4-fluorothioanisole by Aladdin Scientific in 98% for only $375.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-Bromo-4-fluorothioanisole | 91524-70-8 | (2-Bromo-4-fluorophenyl)(methyl)sulfane | 2-bromo-4-fluoro-1-methylsulfanylbenzene | C7H6BrFS | 2-bromo-4-fluoro-1-methylsulfanyl-benzene | 2-bromo-4-fluoro-1-(methylsulfanyl)benzene | SCHEMBL2714643 | DTXSID50449682 | XQGBAFLNAQH
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
Thiophenol ethers Fluorobenzenes Bromobenzenes Alkylarylthioethers Aryl fluorides Aryl bromides Sulfenyl compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl thioether - Thiophenol ether - Alkylarylthioether - Bromobenzene - Halobenzene - Fluorobenzene - Aryl bromide - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Sulfenyl compound - Organobromide - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
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
2-bromo-4-fluoro-1-methylsulfanylbenzene
INCHI
InChI=1S/C7H6BrFS/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
InChIKey
XQGBAFLNAQHQNY-UHFFFAOYSA-N
Smiles
CSC1=C(C=C(C=C1)F)Br
Isomeric SMILES
CSC1=C(C=C(C=C1)F)Br
Molecular Weight
221.1
Reaxy-Rn
4799572
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4799572&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
221.090 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
219.936 Da
Monoisotopic Mass
219.936 Da
Topological Polar Surface Area
25.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
110.000
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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