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

CAS: 1122-41-4 Cat. No.: D101769 Formula: Cl₂C₆H₃SH Molecular Weight: 179.07 Beilstein Registry Number: 6(4)1611 EC Number: 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

Overview

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

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

Specifications & Purity

≥97%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

528755451

Canonical Smiles

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

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)S

WGK Germany

3

Molecular Weight

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
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air sensitive.
• Freezing Point(°C): 15 °C
• Refractive Index: 1.619
• Boil Point(°C): 60-62°C/1.5mmHg
• Melt Point(°C): 15 °C
• Molecular Weight: 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