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3-(Pentafluorothio)phenol - 95%, high purity , CAS No.672-31-1

COA

Grade & Purity:

≥95%

Cas Number: 672-31-1
Molecular Weight: 220.2
PubChem CID: 2779201

In stock

Item Number

P185938

Grouped product items
SKU	Size	Availability	Price	Qty
P185938-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$392.90
P185938-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,766.90

Basic Description

Synonyms	3-(Pentafluorothio)phenol \| 672-31-1 \| 3-(PENTAFLUOROSULFANYL)PHENOL \| 3-Hydroxyphenylsulphur pentafluoride \| 3-(pentafluoro-lambda6-sulfanyl)phenol \| 3-(pentafluoro-lambda~6~-sulfanyl)phenol \| 3-(pentafluoro-$l^{6}-sulfanyl)phenol \| 3-Pentafluorosulfanylphenol \| 3-(Pent
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass 1-hydroxy-4-unsubstituted benzenoids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	1-hydroxy-4-unsubstituted benzenoids
Intermediate Tree Nodes	Not available
Direct Parent	1-hydroxy-4-unsubstituted benzenoids
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organosulfur compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
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	3-(pentafluoro-λ6-sulfanyl)phenol
INCHI	InChI=1S/C6H5F5OS/c7-13(8,9,10,11)6-3-1-2-5(12)4-6/h1-4,12H
InChIKey	KVOACEHJTNSNBD-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)S(F)(F)(F)(F)F)O
Isomeric SMILES	C1=CC(=CC(=C1)S(F)(F)(F)(F)F)O
PubChem CID	2779201
Molecular Weight	220.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	220.160 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	219.998 Da
Monoisotopic Mass	219.998 Da
Topological Polar Surface Area	21.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	208.000
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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