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

CAS: 625-84-3 Cat. No.: D113404 分子式: C₆H₉N 分子量: 95.14 Beilstein Registry Number: 20172 EC番号: 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

同義語

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,

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504752291

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CC1=CC=C(N1)C

WGKドイツ

3

RTECS

UX9465930

UN番号

1992

分子量

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
    • 分類 Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water
• 感度: air & heat sensitive
• 屈折率: 1.504-1.507
• 引火点（°F）: 129.2 °F
• 引火点（°C）: 54 °C
• 沸点（°C）: 165°C
• 分子量: 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

よくある質問

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.