2,4-Dimethylpyrrole - ≥97% , CAS No.625-82-1

CAS: 625-82-1 Cat. No.: D123132 Fórmula: C₆H₉N Peso molecular: 95.14 Beilstein Registry Number: 20(5)5,63 Número EC: 210-912-2

GRADE & PURITY ≥97%

Synonyms

AKOS006222322 | YNQ49M599X | 2,4-Dimethyl-1-pyrrole | EN300-106741 | 2,4-Dimethylpyrrole, 97% | EINECS 210-912-2 | 2,4-dimethyl-1H-pyrrol | 2,4-Dimethyl-1H-pyrrole | D2848 | Pyrrole, 2,4-dimethyl- | NSC 81347 | Q27294614 | 2,4-Dimethylpyrrole | AMY3543 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

2,4-Dimethylpyrrole is a substituted pyrrole. Its synthesis by using ethyl acetoacetate as starting material has been reported. Its basicity has been evaluated from UV spectral data. Its photodecomposition on irradiation has been reported to afford H2, CH4, C2H6 and polymeric products.

2,4-Dimethylpyrrole may be used in the synthesis of the following:

• 2,5-bis(2′,4′-dimethyl-5′-pyrryl)p-benzoquinone

• boron dipyrromethene (BODIPY) dyes

• 2,4-dimethyl-6-methoxyprodigiosene

Specifications

Sinónimos

AKOS006222322 | YNQ49M599X | 2,4-Dimethyl-1-pyrrole | EN300-106741 | 2,4-Dimethylpyrrole, 97% | EINECS 210-912-2 | 2,4-dimethyl-1H-pyrrol | 2,4-Dimethyl-1H-pyrrole | D2848 | Pyrrole, 2,4-dimethyl- | NSC 81347 | Q27294614 | 2,4-Dimethylpyrrole | AMY3543 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488183319

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183319

Sonrisas canónicas

CC1=CC(=CN1)C

IUPAC Name

2,4-dimethyl-1H-pyrrole

InChIKey

MFFMQGGZCLEMCI-UHFFFAOYSA-N

INCHI

1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3

Isómeros SMILES

CC1=CC(=CN1)C

WGK Alemania

3

Peso molecular

95.14

Beilstein

20(5)5,63

Reaxy-Rn

105444

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105444&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Substituted pyrrole - 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 substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air & heat sensitive
• Índice de refracción: 1.4950-1.4990
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): >113 °C
• Punto de ebullición (°C): 165-167 °C
• Peso molecular: 95.140 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 95.0735 Da
• Monoisotopic Mass: 95.0735 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 61.200
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 625-82-1, the molecular formula is C6H9N, and the molecular weight is 95.14 g/mol. InChIKey MFFMQGGZCLEMCI-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.