2,3-Dichlorothiophenol - ≥97% , CAS No.17231-95-7

CAS: 17231-95-7 Cat. No.: D101768 Fórmula: C₆H₄Cl₂S Peso molecular: 179.07 Beilstein Registry Number: 6(4)1610 Número CE: 605-631-0

GRAU & PUREZA ≥97%

Synonyms

DTXSID70169254 | FT-0609586 | InChI=1/C6H4Cl2S/c7-4-2-1-3-5(9)6(4)8/h1-3,9H | dichlorothiophenol | 2,3-Dichlorothiophenol | 2,3-dichloro-thiophenol | J-506943 | UNII-43G4NGA9AN | QGRKONUHHGBHRB-UHFFFAOYSA- | 2,3-Dichlorobenzenethiol | 2,3-Dichiorothiophen

Storage

Argon charged,Room temperature

Shipped In

Normal

Especificações

Sinónimos

DTXSID70169254 | FT-0609586 | InChI=1/C6H4Cl2S/c7-4-2-1-3-5(9)6(4)8/h1-3,9H | dichlorothiophenol | 2,3-Dichlorothiophenol | 2,3-dichloro-thiophenol | J-506943 | UNII-43G4NGA9AN | QGRKONUHHGBHRB-UHFFFAOYSA- | 2,3-Dichlorobenzenethiol | 2,3-Dichiorothiophen

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528755279

Sorrisos canónicos

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

IUPAC Name

2,3-dichlorobenzenethiol

InChIKey

QGRKONUHHGBHRB-UHFFFAOYSA-N

INCHI

1S/C6H4Cl2S/c7-4-2-1-3-5(9)6(4)8/h1-3,9H

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

179.07

Beilstein

6(4)1610

Reaxy-Rn

2043616

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043616&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 - 1,2-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&light sensitive
• Ponto de inflamação (°F): >230 °F
• Ponto de inflamação (°C): >110 °C
• Ponto de ebulição (°C): 100°C/8mmHg
• Ponto de fusão (°C): 54-60°C
• Peso molecular: 179.070 g/mol
• XLogP3: 3.700
• 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