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3,5-Difluorobenzenethiol - 95%, high purity , CAS No.99389-26-1

COA

Grade & Purity:

≥95%

Cas Number: 99389-26-1
Molecular Weight: 146.15
PubChem CID: 2758361

In stock

Item Number

D590898

Grouped product items
SKU	Size	Availability	Price
D590898-1g	1g	3	$16.90
D590898-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$58.90
D590898-25g	25g	1	$261.90

Basic Description

Synonyms	STL557394 \| EN300-673748 \| DTXSID40374297 \| AKOS005256319 \| 3,5-difluorothiophenol, AldrichCPR \| 3,5-difluorobenzenethiol \| 3,5-DIFLUORO-BENZENETHIOL \| FT-0735208 \| 3,5-Difluorophenyl mercaptan \| 3,5-Difluoro Thiophenol \| BBL103584 \| 3,5-Difluorothiopheno
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

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Thiophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Thiophenols
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiophenols
Alternative Parents	Fluorobenzenes Aryl fluorides Thiols Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Thiophenol - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
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	3,5-difluorobenzenethiol
INCHI	InChI=1S/C6H4F2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey	LFYVNHDFVIPZHV-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1F)S)F
Isomeric SMILES	C1=C(C=C(C=C1F)S)F
Molecular Weight	146.15
Reaxy-Rn	5496844
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5496844&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
K2308211	Certificate of Analysis	Oct 27, 2023	D590898
K2308207	Certificate of Analysis	Oct 27, 2023	D590898
K2308167	Certificate of Analysis	Oct 27, 2023	D590898

Chemical and Physical Properties

Molecular Weight	146.160 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	146 Da
Monoisotopic Mass	146 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.100
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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