Phenyl Chlorodithioformate - ≥95% , CAS No.16911-89-0

CAS: 16911-89-0 Cat. No.: P160306 Fórmula: C₇H₅ClS₂ Peso molecular: 188.69 Beilstein Registry Number: 6313 Número CE: 627-860-5 PubChem CID: 592675

GRADE & PURITY ≥95%

Synonyms

Phenyl chlorodithioformate | Phenyl chloridodithiocarbonate # | SCHEMBL1824547 | J-010509 | P1266 | Formic acid, chlorodithio-, phenyl ester | phenyl(chloro)dithioformate | Phenyl carbonochloridodithioate | MFCD00013429 | D92096 | Phenyl chlorodithioforma

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

Kinetics and mechanism of solvolysis reaction of phenyl chlorodithioformate was reported.

Phenyl chlorodithioformate was used in synthesis of phenyl arylsulfonyl-alkyl-dithiocarbamates. It was also used in synthesis of S-phenyl O-(4-nitrophenyl)dithiocarbonate.

Specifications

Sinónimos

Phenyl chlorodithioformate | Phenyl chloridodithiocarbonate # | SCHEMBL1824547 | J-010509 | P1266 | Formic acid, chlorodithio-, phenyl ester | phenyl(chloro)dithioformate | Phenyl carbonochloridodithioate | MFCD00013429 | D92096 | Phenyl chlorodithioforma

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 508814200
• Sorrisos canónicos: 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
• SMILES isoméricas: C1=CC=C(C=C1)SC(=S)Cl
• WGK Alemanha: 3
• PubChem CID: 592675
• Peso molecular: 188.69
• Beilstein: 6313
• Reaxy-Rn: 1100153

Taxonomic Classification

Taxonomy Tree

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

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

Propriedades químicas e físicas

• Sensibilidade: Sensitive to air and humidity
• Índice de refração: n20/D 1.6688
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°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