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1-Fluoro-4-(methylsulfinyl)benzene - ≥95%, high purity , CAS No.658-14-0

COA

Grade & Purity:

≥95%

Cas Number: 658-14-0
Molecular Weight: 158.19
MDL number: MFCD14636188
PubChem CID: 5324184

In stock

Item Number

F769278

Grouped product items
SKU	Size	Availability	Price
F769278-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$104.90
F769278-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$195.90
F769278-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$346.90
F769278-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$953.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenyl sulfoxides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenyl sulfoxides
Intermediate Tree Nodes	Not available
Direct Parent	Phenyl sulfoxides
Alternative Parents	Fluorobenzenes Aryl fluorides Sulfoxides Sulfinyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenyl sulfoxide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Sulfoxide - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group.
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

INCHI	InChI=1S/C7H7FOS/c1-10(9)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey	PQOHTVHAGPPTEE-UHFFFAOYSA-N
Smiles	CS(=O)C1=CC=C(C=C1)F
Isomeric SMILES	CS(=O)C1=CC=C(C=C1)F
Molecular Weight	158.19

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	264.9±23.0°C(Predicted)
Molecular Weight	158.200 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	158.02 Da
Monoisotopic Mass	158.02 Da
Topological Polar Surface Area	36.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	130.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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