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

CAS: 637-89-8 Cat. No.: M101786 Peso molecular: 126.18 Beilstein Registry Number: 2039306 Número EC: 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

Argon charged,Room temperature

Shipped In

Normal

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504758038
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758038
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC(=CC=C1O)S
• WGK Alemania: 3
• RTECS: MX7175000
• Peso molecular: 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
    • Clase Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Sensibilidad: air ＆ Moisture sensitive
• Punto de congelación (°C): 34 °C
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110°C
• Punto de ebullición (°C): 149-150°C/25mmHg
• Punto de fusión (°C): 33-35°C
• Peso molecular: 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

Referencias

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