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3-Mercaptophenol - 96%, high purity , CAS No.40248-84-8

2 Citations

COA

Grade & Purity:

≥96%

Cas Number: 40248-84-8
Molecular Weight: 126.18
Beilstein Registry Number: 6(2)827
MDL number: MFCD01317829
PubChem CID: 2736613
PubChem SID: 504761322

In stock

Item Number

M101785

Grouped product items
SKU	Size	Availability	Price
M101785-1g	1g	3	$15.90
M101785-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$57.90
M101785-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$260.90
M101785-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$938.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	EN300-134541 \| MFCD01317829 \| 3-Hydroxy thiophenol \| Phenol, 3-mercapto- \| 3-Mercaptophenol \| 3-mercapto-phenol \| 3-sulfanylphenol \| A825011 \| InChI=1/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H \| 3-Hydroxythiophenol \| m-Hydroxy Thiophenol \| AKOS007930181 \| H1196
Specifications & Purity	≥96%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	3-mercaptophenol coated cantilevers can be used as formaldehyde sensors since it is highly selective towards formaldehyde and can show highest downward deflection on coming in contact with it. 3-mercaptophenol may be used in the synthesis of the following: · 4-(3-hydroxyphenylthio)naphthalene-1,2-dione, which shows fluorosence emission · [C6H4-1-(SPPh2)-3-(OPPh2)], a non-symmetric ligand which can combine with PdCl2 to form a pincer complex

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	1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Thiols Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Thiophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Arylthiol - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen 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

Pubchem Sid	504761322
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761322
IUPAC Name	3-sulfanylphenol
INCHI	InChI=1S/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChIKey	DOFIAZGYBIBEGI-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)S)O
Isomeric SMILES	C1=CC(=CC(=C1)S)O
WGK Germany	3
UN Number	1760
Molecular Weight	126.18
Beilstein	6(2)827
Reaxy-Rn	1926135
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1926135&ln=

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

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

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8 results found

Lot Number	Certificate Type	Date	Item
F2213129	Certificate of Analysis	Mar 14, 2024	M101785
F2213130	Certificate of Analysis	Mar 14, 2024	M101785
F2213131	Certificate of Analysis	Mar 14, 2024	M101785
F2213249	Certificate of Analysis	Mar 14, 2024	M101785
C2210161	Certificate of Analysis	Dec 15, 2023	M101785
C2210187	Certificate of Analysis	Dec 15, 2023	M101785
G1604058	Certificate of Analysis	Nov 16, 2023	M101785
C2210189	Certificate of Analysis	Mar 14, 2022	M101785

Chemical and Physical Properties

Sensitivity	air sensitive
Refractive Index	1.627
Flash Point(°C)	96°C
Boil Point(°C)	242-243 °C
Melt Point(°C)	16-17°C
Molecular Weight	126.180 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	126.014 Da
Monoisotopic Mass	126.014 Da
Topological Polar Surface Area	21.200 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.900
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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