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

CAS: 1122-41-4 Cat. No.: D101769 Fórmula: Cl₂C₆H₃SH Peso molecular: 179.07 Beilstein Registry Number: 6(4)1611 Número CE: 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

Visão geral

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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 528755451
• Sorrisos canónicos: 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
• SMILES isoméricas: C1=CC(=C(C=C1Cl)Cl)S
• WGK Alemanha: 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
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Air sensitive.
• Ponto de congelamento (°C): 15 °C
• Índice de refração: 1.619
• Ponto de ebulição (°C): 60-62°C/1.5mmHg
• Ponto de fusão (°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