Cloroditioformato de fenilo - ≥95% , CAS No.16911-89-0

CAS: 16911-89-0 Cat. No.: P160306 Peso molecular: 188.69 Beilstein Registry Number: 6313 Número EC: 627-860-5 PubChem CID: 592675

GRADE & PURITY ≥95%

Synonyms

Cloroditioformato de fenilo | Cloridoditiocarbonato de fenilo # | SCHEMBL1824547 | J-010509 | P1266 | Ácido fórmico, cloroditio-, éster fenílico | fenil(cloro)ditioformato | Carbonocloridoditioato de fenilo | MFCD00013429 | D92096 | Cloroditioforma de fen

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

Se ha descrito la cinética y el mecanismo de la reacción de solvólisis del cloroditioformato de fenilo.

El cloroditioformato de fenilo se utilizó en la síntesis de arilsulfonil-alquil-ditiocarbamatos de fenilo. También se utilizó en la síntesis de S-fenil O-(4-nitrofenil)ditiocarbonato.

Specifications

Sinónimos

Cloroditioformato de fenilo | Cloridoditiocarbonato de fenilo # | SCHEMBL1824547 | J-010509 | P1266 | Ácido fórmico, cloroditio-, éster fenílico | fenil(cloro)ditioformato | Carbonocloridoditioato de fenilo | MFCD00013429 | D92096 | Cloroditioforma de fen

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)SC(=S)Cl
• IUPAC Name: phenyl chloromethanedithioate
• InChIKey: XEXIHCWFFNGQDE-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClS2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
• Isómeros SMILES: C1=CC=C(C=C1)SC(=S)Cl
• WGK Alemania: 3
• PubChem CID: 592675
• Peso molecular: 188.69
• Beilstein: 6313
• Reaxy-Rn: 1100153

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Benzene and substituted derivatives Sulfenyl compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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: Sensitive to air and humidity
• Índice de refracción: n20/D 1.6688
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 95°C/1mmHg(lit.)
• Peso molecular: 188.700 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.952 Da
• Monoisotopic Mass: 187.952 Da
• Topological Polar Surface Area: 57.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 119.000
• 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