1,2,5-Trimetilpirrol - ≥98%(GC) , CAS No.930-87-0

CAS: 930-87-0 Cat. No.: T161834 Peso molecular: 109.17 Beilstein Registry Number: 20(5)5,65 Número EC: 213-225-6 PubChem CID: 70260

GRADE & PURITY ≥98%(GC)

Synonyms

T1939 | NSC81220 | NSC-81220 | EINECS 213-225-6 | EN300-21742 | Q63396362 | DTXSID20239239 | SY048165 | D92550 | 1,2,5-Trimethylpyrrole, 99% | AS-78356 | 7K4P5HS0RP | FT-0606265 | AKOS000101244 | 1,2,5-Trimethylpyrrole | 1,2,5-Trimethyl-1H-pyrrole | 1H-Py

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Descripción general

el 1,2,5-trimetilpirrol se utiliza como intermediario en síntesis químicas orgánicas.

Specifications

Sinónimos

T1939 | NSC81220 | NSC-81220 | EINECS 213-225-6 | EN300-21742 | Q63396362 | DTXSID20239239 | SY048165 | D92550 | 1, 2, 5-Trimethylpyrrole, 99% | AS-78356 | 7K4P5HS0RP | FT-0606265 | AKOS000101244 | 1, 2, 5-Trimethylpyrrole | 1, 2, 5-Trimethyl-1H-pyrrole | 1H-Py

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488184505
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184505
• Sonrisas canónicas: CC1=CC=C(N1C)C
• IUPAC Name: 1,2,5-trimethylpyrrole
• InChIKey: YRABRACUKBOTKB-UHFFFAOYSA-N
• INCHI: 1S/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H3
• Isómeros SMILES: CC1=CC=C(N1C)C
• WGK Alemania: 3
• PubChem CID: 70260
• Número ONU: 1993
• Grupo de embalaje: III
• Peso molecular: 109.17
• Beilstein: 20(5)5,65
• Reaxy-Rn: 107604

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: Slightly soluble in water (2.2 g/L at 25°C).
• Sensibilidad: Air&Light sensitive
• Índice de refracción: n20/D 1.498 (lit.)
• Punto de inflamación (°F): 125.6 °F
• Punto de inflamación (°C): 52°C(lit.)
• Punto de ebullición (°C): 173 °C (lit.)
• Peso molecular: 109.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 109.089 Da
• Monoisotopic Mass: 109.089 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.500
• 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