4-Mercaptophenol - ≥97% , CAS No.637-89-8

CAS: 637-89-8 Cat. No.: M101786 Formula: HSC₆H₄OH Molecular Weight: 126.18 Beilstein Registry Number: 2039306 EC Number: 211-307-6

GRADE & PURITY ≥97%

Synonyms

AC-10071 | DB03148 | InChI=1/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H | STL554392 | p-hydroxybenzenethiol | Phenol, 4-mercapto- | S10242 | 4-Mercaptophenol, Vetec(TM) reagent grade, 89% | USAF B-57 | para-hydroxy thiophenol | Phenol, p-mercapto- | NSC46192 | N

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

4-Mercaptophenol (MPH) has been used to study the adsorption of MPH on silver coated polystyrene nanospheres by time-dependent surface-enhanced Raman scattering (SERS) spectroscopy. 4-Mercaptophenol may be used in the preparation of silylated monomer, which was employed for the synthesis of hyperbranched poly(ester-imide). 4-Mercaptophenol (H-4MP) reacts with metal tert-butoxides ([M(OBut)4]) to yield the following Group 4 phenoxy-thiols: · [(HOBut)(4MP)3M(μ-4MP)]2, where M = Ti, Zr, Hf · [(py)2M(4MP)], where M = Ti, Zr; py = pyridine · [(py)(4MP)3Hf(μ-4MP)]2 4-Mercaptophenol may be used in the synthesis of the following: · poly(ethersulfide)s via silylation followed by polycondensation with 2,6-dichloropyridine or 3,6-dichloropyridazine · 2,6-di-tertiarybutyl-4-mercaptophenol via Friedel-Craft’s alkylation with tert-butyl chloride in presence of a lewis acid

Specifications

Synonyms

AC-10071 | DB03148 | InChI=1/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H | STL554392 | p-hydroxybenzenethiol | Phenol, 4-mercapto- | S10242 | 4-Mercaptophenol, Vetec(TM) reagent grade, 89% | USAF B-57 | para-hydroxy thiophenol | Phenol, p-mercapto- | NSC46192 | N

Specifications & Purity

≥97%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

504758038

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758038

Canonical Smiles

C1=CC(=CC=C1O)S

IUPAC Name

4-sulfanylphenol

InChIKey

BXAVKNRWVKUTLY-UHFFFAOYSA-N

INCHI

1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H

Isomeric SMILES

C1=CC(=CC=C1O)S

WGK Germany

3

RTECS

MX7175000

Molecular Weight

126.18

Beilstein

2039306

Reaxy-Rn

2039306

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039306&ln=

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: Thiohydroquinones 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Thiols Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Thiophenol - Thiohydroquinone - 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

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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: air ＆ Moisture sensitive
• x_freezing_point: 34 °C
• x_flash_point_drop_fahrenheit: 230 °F
• x_flash_point_drop_centigrade: 110°C
• x_boil_point_char: 149-150°C/25mmHg
• x_melt_point_char: 33-35°C
• Molecular Weight: 126.180 g/mol
• XLogP3: 1.100
• 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 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 637-89-8, the molecular formula is HSC6H4OH, and the molecular weight is 126.18 g/mol. InChIKey BXAVKNRWVKUTLY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.