1-Methylpyrrole - ≥99% , CAS No.96-54-8

CAS: 96-54-8 Cat. No.: M100701 Fórmula: C₅H₇N Peso molecular: 81.12 Beilstein Registry Number: 104181 Número EC: 202-513-7

GRADE & PURITY ≥99%

Synonyms

1-Methylpyrrole | N-Methyl pyrrole | N-Methylpyrrol | 1-methylpyrrol

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Methylpyrrole | N-Methyl pyrrole | N-Methylpyrrol | 1-methylpyrrol

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488180378
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180378
• Sonrisas canónicas: CN1C=CC=C1
• IUPAC Name: 1-methylpyrrole
• InChIKey: OXHNLMTVIGZXSG-UHFFFAOYSA-N
• INCHI: 1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
• Isómeros SMILES: CN1C=CC=C1
• WGK Alemania: 3
• RTECS: UX9640000
• Número ONU: 1993
• Peso molecular: 81.12
• Beilstein: 104181
• Reaxy-Rn: 104181
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104181&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Substituted pyrroles
        • Level5 N-substituted pyrroles
          • Level6 N-methylpyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: N-substituted pyrroles
• Direct Parent: N-methylpyrroles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-methylpyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-methylpyrroles. These are organic heterocyclic compounds containing a N-methylated pyrrole.
• 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

• Solubilidad: Soluble in organic solvents such as alcohol and so on, but insoluble in water.
• Sensibilidad: Air & Light Sensitive
• Índice de refracción: 1.4875
• Punto de inflamación (°F): 60.8 °F
• Punto de inflamación (°C): 16 °C
• Punto de ebullición (°C): 111-114°C
• Punto de fusión (°C): -57°C
• Peso molecular: 81.120 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 81.0578 Da
• Monoisotopic Mass: 81.0578 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 37.200
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% 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 96-54-8, the molecular formula is C5H7N, and the molecular weight is 81.12 g/mol. InChIKey OXHNLMTVIGZXSG-UHFFFAOYSA-N.