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

CAS: 96-54-8 Cat. No.: M100701 Formula: C₅H₇N Peso molecolare: 81.12 Beilstein Registry Number: 104181 Numero 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

Sinonimi

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

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488180378
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180378
• Sorrisi canonici: CN1C=CC=C1
• IUPAC Name: 1-methylpyrrole
• InChIKey: OXHNLMTVIGZXSG-UHFFFAOYSA-N
• INCHI: 1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
• Isomeri SMILES: CN1C=CC=C1
• WGK Germania: 3
• RTECS: UX9640000
• Numero UN: 1993
• Peso molecolare: 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
    • Classe Pyrroles
      • Subclass Substituted pyrroles
        • Level5 N-substituted pyrroles
          • Level6 N-methylpyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in organic solvents such as alcohol and so on, but insoluble in water.
• Sensibilità: Air & Light Sensitive
• Indice di rifrazione: 1.4875
• Punto di infiammabilità (°F): 60.8 °F
• Punto di infiammabilità (°C): 16 °C
• Punto di ebollizione (°C): 111-114°C
• Punto di fusione (°C): -57°C
• Peso molecolare: 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

Riferimenti

1. Bingbin Wu, Xiaoyu Jiang, Lifen Xiao, Wenhua Zhang, Jiaxin Pan, Xinping Ai, Hanxi Yang, Yuliang Cao.  (2014)  Enhanced Cycling Stability of Sulfur Cathode Surface-Modified by Poly(N-methylpyrrole).  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2014.04.133]

2. Ning Xie, Yiting Liu, Haowei Kang, Xurui Li, Qiang Weng, Xingming Ning, Pei Chen, Xinbing Chen, Zhongwei An.  (2025)  Improving performance of poly(carbazole)-based anion exchange membrane for fuel cells by reinforced cation-dipole interaction.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.164169]

3. Pengfei Yang, Lingqi Kong, Qiongbo Wang, Qiang Liu, Xiujin Duan, Chen Hu, Zhengbo Feng, Qi Yang, Huabo Jv.  (2026)  Analysis of volatile compounds in Aglaia odorata flower extracts with different possessing methods by HS-SPME-GC-MS and E-nose.  Frontiers in Chemistry,      [PMID:41867951] [10.3389/fchem.2026.1746408]

Domande frequenti

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.