Pyrrole-d₅ - ≥98%,≥98atom%D , CAS No.18430-85-8

CAS: 18430-85-8 Cat. No.: P471954 Formule: C₄D₅N Poids moléculaire: 72.12 Numéro CE: 664-290-6

GRADE & PURITY ≥98%,≥98atom%D

Synonyms

Pyrrole-d5, 98 atom % D | (~2~H_5_)-1H-Pyrrole | (?H?)-1H-pyrrole | J-011811 | D98491 | Pyrrole-d5 | 1,2,3,4,5-pentadeuteriopyrrole | AKOS015898133 | DTXSID60583602

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

Pyrrole-d5, 98 atom % D | (~2~H_5_)-1H-Pyrrole | (?H?)-1H-pyrrole | J-011811 | D98491 | Pyrrole-d5 | 1,2,3,4,5-pentadeuteriopyrrole | AKOS015898133 | DTXSID60583602

Spécifications et pureté

≥98%,≥98atom%D

Conditions de stockage de stockage

Store at 2-8°C

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%,≥98atom%D

Noms et identifiants

• Sourires canoniques: C1=CNC=C1
• IUPAC Name: 1,2,3,4,5-pentadeuteriopyrrole
• InChIKey: KAESVJOAVNADME-HXRFYODMSA-N
• INCHI: 1S/C4H5N/c1-2-4-5-3-1/h1-5H/i1D,2D,3D,4D/hD
• Isomères SMILES: [2H]C1=C(N(C(=C1[2H])[2H])[2H])[2H]
• CAS alternatif: 109-97-7（unlabeled）
• Numéro ONU: 1992
• Groupe d'emballage: III
• Poids moléculaire: 72.12
• 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
    • Classe Heteroaromatic compounds

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

Propriétés chimiques et physiques

• Indice de réfraction: n20/D 1.5072 (lit.)
• Point d'ébullition (°C): 131 °C
• Point de fusion (°C): -23 °C
• Poids moléculaire: 72.120 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 72.0736 Da
• Monoisotopic Mass: 72.0736 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 22.800
• Isotope Atom Count: 5
• 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). This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 18430-85-8, the molecular formula is C4D5N, and the molecular weight is 72.12 g/mol. InChIKey KAESVJOAVNADME-HXRFYODMSA-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.