N-Thionylaniline - ≥95% , CAS No.1122-83-4

CAS: 1122-83-4 Cat. No.: N159148 Fórmula: C₆H₅NOS Peso molecular: 139.17 Beilstein Registry Number: 507682 Número CE: 214-362-4

GRADE & PURITY ≥95%

Synonyms

N-Phenyl-N-sulfinylamine;Phenylsulfinylamine | NSC40228 | NSC-40228 | Benzenamine, N-sulfinyl-, [N(E)]- | N-THIONYL ANILINE | Sulfurous imide, phenyl- | Thionylanilin | (N(E))-N-Sulfinylbenzenamine | n-(oxo-lambda4-sulfanylidene)aniline | N-Phenyl-N-sulfi

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-Phenyl-N-sulfinylamine;Phenylsulfinylamine | NSC40228 | NSC-40228 | Benzenamine, N-sulfinyl-, [N(E)]- | N-THIONYL ANILINE | Sulfurous imide, phenyl- | Thionylanilin | (N(E))-N-Sulfinylbenzenamine | n-(oxo-lambda4-sulfanylidene)aniline | N-Phenyl-N-sulfi

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 488184583
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184583
• Sorrisos canónicos: C1=CC=C(C=C1)N=S=O
• IUPAC Name: (sulfinylamino)benzene
• InChIKey: FIOJWGRGPONADF-UHFFFAOYSA-N
• INCHI: 1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H
• SMILES isoméricas: C1=CC=C(C=C1)N=S=O
• WGK Alemanha: 3
• Peso molecular: 139.17
• Beilstein: 507682
• Reaxy-Rn: 507682
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507682&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Solubilidade: Partly miscible in water.
• Sensibilidade: Air sensitive
• Índice de refração: 1.627
• Ponto de inflamação (°F): 183.2 °F
• Ponto de inflamação (°C): 84°C
• Ponto de ebulição (°C): 200°C
• Peso molecular: 139.180 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.009 Da
• Monoisotopic Mass: 139.009 Da
• Topological Polar Surface Area: 30.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 125.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1122-83-4, the molecular formula is C6H5NOS, and the molecular weight is 139.17 g/mol. InChIKey FIOJWGRGPONADF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.