4-(Dimethylphosphoryl)-2-fluoroaniline - ≥95% , CAS No.1197956-35-6

CAS: 1197956-35-6 Cat. No.: D932136 Fórmula: C₈H₁₁FNOP Peso molecular: 187.15 Número CE: 859-376-7 PubChem CID: 67052680

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

CP(=O)(C)C1=CC(=C(C=C1)N)F

IUPAC Name

4-dimethylphosphoryl-2-fluoroaniline

InChIKey

LRMFKTMOONLXRC-UHFFFAOYSA-N

INCHI

1S/C8H11FNOP/c1-12(2,11)6-3-4-8(10)7(9)5-6/h3-5H,10H2,1-2H3

SMILES isoméricas

CP(=O)(C)C1=CC(=C(C=C1)N)F

PubChem CID

67052680

Peso molecular

187.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Phenylphosphines and derivatives Fluorobenzenes Aryl fluorides Organophosphine oxides Primary amines Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Fluorobenzene - Halobenzene - Phenylphosphine - Aryl fluoride - Aryl halide - Organophosphine oxide - Organic nitrogen compound - Primary amine - Organophosphorus compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

• Peso molecular: 187.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.056 Da
• Monoisotopic Mass: 187.056 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 203.000
• 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.

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

The CAS Number is 1197956-35-6, the molecular formula is C8H11FNOP, and the molecular weight is 187.15 g/mol. InChIKey LRMFKTMOONLXRC-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.