Pyrrole - Standard for GC, ≥99.7%(GC) , CAS No.109-97-7

CAS: 109-97-7 Cat. No.: P104877 Summenformel: C₄H₅N Molekulargewicht: 67.09 Beilstein Registry Number: 1159 EG-Nummer: 203-724-7

QUALITÄT & REINHEIT Standard for GC, ≥99.7%(GC)

Synonyms

EINECS 203-724-7 | PYRROLE [HSDB] | PYRROLE [FHFI] | NSC62777 | NSC-62777 | Q-100054 | CHEBI:19203 | Pyrole | WLN: T5MJ | PYRROLE | pyrrole- | Imidole | PYRROLE [FCC] | PYRROLE-ND | FEMA 3386 | NSC 62777 | NCGC00357161-01 | Pyrrole, Reagent | Pyrrhol | 1-

Storage

Protected from light,Room temperature

Shipped In

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Spezifikationen

Synonyme

EINECS 203-724-7 | PYRROLE [HSDB] | PYRROLE [FHFI] | NSC62777 | NSC-62777 | Q-100054 | CHEBI:19203 | Pyrole | WLN: T5MJ | PYRROLE | pyrrole- | Imidole | PYRROLE [FCC] | PYRROLE-ND | FEMA 3386 | NSC 62777 | NCGC00357161-01 | Pyrrole, Reagent | Pyrrhol | 1-

Spezifikationen & Reinheit

Standard for GC, ≥99.7%(GC)

Storage

Protected from light,Room temperature

Verschickt in

FedEx DG Service

Note

Standard for GC

Reinheit

≥99.7%(GC)

Namen und Kennungen

Pubchem Sid

528770731

Kanonisches Lächeln

C1=CNC=C1

IUPAC Name

1H-pyrrole

InChIKey

KAESVJOAVNADME-UHFFFAOYSA-N

INCHI

1S/C4H5N/c1-2-4-5-3-1/h1-5H

Isomere SMILES

C1=CNC=C1

WGK Deutschland

2

RTECS

UX9275000

UN-Nummer

1992

Verpackungsgruppe

III

Molekulargewicht

67.09

Beilstein

1159

Reaxy-Rn

1159

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1159&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Pyrroles Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• External Descriptors: a pyrrole

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

Zugehörige Ziele (menschlich)

TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

Discover Target: TBXAS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water, soluble in ethanol, ether, benzene, acetone and other organic solvents.
• Empfindlichkeit: Light sensitive.
• Brechungsindex: 1.508
• Flammpunkt (°F): 96.8 °F - closed cup
• Flammpunkt (°C): 36°C
• Siedepunkt (°C): 131°C
• Schmelzpunkt (°C): -23°C
• Molekulargewicht: 67.090 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 67.0422 Da
• Monoisotopic Mass: 67.0422 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 22.800
• 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