2,4-Dichlorobenzenethiol - ≥97% , CAS No.1122-41-4

CAS: 1122-41-4 Cat. No.: D101769 Peso molecular: 179.07 Beilstein Registry Number: 6(4)1611 Número EC: 214-346-7

GRADE & PURITY ≥97%

Synonyms

J-507196 | 2,4-dichlorobenzene-1-thiol | AC-10677 | AT20826 | 2,4-Dichlorobenzenethiol # | EINECS 214-346-7 | MFCD00041421 | DTXSID20149945 | AM10277 | 2,4-Dichlorothiophenol | 2,4-dichlorothio-phenol | EN300-53621 | PS-11926 | FT-0610074 | 2,4 dichloroth

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Description
2,4-Dichlorobenzenethiol is a halogenated aromatic thiol.

Product Application
2,4-Dichlorobenzenethiol (24DBT) may be used in the following:Preparation of hyperbranched poly(phenylene sulfide) (HPPS).Functionalization of printed gold nanoparticle films.To synthesize N,N-dialkyl(aminopropyl)amino diaryl sulphide.

Specifications

Sinónimos

J-507196 | 2, 4-dichlorobenzene-1-thiol | AC-10677 | AT20826 | 2, 4-Dichlorobenzenethiol # | EINECS 214-346-7 | MFCD00041421 | DTXSID20149945 | AM10277 | 2, 4-Dichlorothiophenol | 2, 4-dichlorothio-phenol | EN300-53621 | PS-11926 | FT-0610074 | 2, 4 dichloroth

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1Cl)Cl)S
• IUPAC Name: 2,4-dichlorobenzenethiol
• InChIKey: FGBVJFREPSJSNG-UHFFFAOYSA-N
• INCHI: 1S/C6H4Cl2S/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
• Isómeros SMILES: C1=CC(=C(C=C1Cl)Cl)S
• WGK Alemania: 3
• Peso molecular: 179.07
• Beilstein: 6(4)1611
• Reaxy-Rn: 2042868
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042868&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Thiophenols Aryl chlorides Thiols Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Thiophenol - 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Sensibilidad: Air sensitive.
• Punto de congelación (°C): 15 °C
• Índice de refracción: 1.619
• Punto de ebullición (°C): 60-62°C/1.5mmHg
• Punto de fusión (°C): 15 °C
• Peso molecular: 179.070 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 177.941 Da
• Monoisotopic Mass: 177.941 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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