2,5-Dimethylpyrrole - ≥98% , CAS No.625-84-3

CAS: 625-84-3 Cat. No.: D113404 Formule: C₆H₉N Poids moléculaire: 95.14 Beilstein Registry Number: 20172 Numéro CE: 210-913-8

GRADE & PURITY ≥98%

Synonyms

Pyrrole, 2,5-dimethyl- (8CI) | 2,5-Dimethylazole | AKOS002664627 | CHEBI:185789 | SB63881 | 2, 5-dimethyl-1H-pyrrole | 2,5-dimethyl-1H-pyrrol | EINECS 210-913-8 | 2,5-Dimethylpyrrole, 98% | 2,5-Dimethyl-1H-pyrrole | 2,5-DIMETHYLPYRROLE [FCC] | 1H-Pyrrole,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

Pyrrole, 2,5-dimethyl- (8CI) | 2,5-Dimethylazole | AKOS002664627 | CHEBI:185789 | SB63881 | 2, 5-dimethyl-1H-pyrrole | 2,5-dimethyl-1H-pyrrol | EINECS 210-913-8 | 2,5-Dimethylpyrrole, 98% | 2,5-Dimethyl-1H-pyrrole | 2,5-DIMETHYLPYRROLE [FCC] | 1H-Pyrrole,

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504752291

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752291

Sourires canoniques

CC1=CC=C(N1)C

IUPAC Name

2,5-dimethyl-1H-pyrrole

InChIKey

PAPNRQCYSFBWDI-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

CC1=CC=C(N1)C

WGK Allemagne

3

RTECS

UX9465930

Numéro ONU

1992

Poids moléculaire

95.14

Beilstein

20172

Reaxy-Rn

106448

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106448&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water
• Sensibilité: air & heat sensitive
• Indice de réfraction: 1.504-1.507
• Point d'éclair (°F): 129.2 °F
• Point d'éclair (°C): 54 °C
• Point d'ébullition (°C): 165°C
• Poids moléculaire: 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: 53.200
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% 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 625-84-3, the molecular formula is C6H9N, and the molecular weight is 95.14 g/mol. InChIKey PAPNRQCYSFBWDI-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.