Pyridine-d₅ - ≥99.5 atom% D, contains 0.03 % (v/v) TMS , CAS No.7291-22-7

CAS: 7291-22-7 Cat. No.: P140017 Summenformel: C₅D₅N Molekulargewicht: 84.13 Beilstein Registry Number: 114377 EG-Nummer: 230-720-2

QUALITÄT & REINHEIT ≥99.5 atom% D, contains 0.03 % (v/v) TMS

Synonyms

Pentadeuteropyridine

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Übersicht

Pyridine-d5 is a deuterated NMR solvent useful in NMR-based research and analyses. It has been synthesized by palladium catalyzed H/D (hydrogen/deuterium) exchange reaction between pyridine vapor and heavy water. Infrared and Raman spectra of pyridine-d5 have been recorded in the range 300-4000cm-1.
Pyridine-d5 may be used as a solvent in the 1H NMR based structural analysis of lignin acetates obtained from spruce and birch.

Spezifikationen

Synonyme

Pentadeuteropyridine

Spezifikationen & Reinheit

≥99.5 atom% D, contains 0.03 % (v/v) TMS

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥99.5 atom% D

Namen und Kennungen

Pubchem Sid

528772368

Kanonisches Lächeln

C1=CC=NC=C1

IUPAC Name

2,3,4,5,6-pentadeuteriopyridine

InChIKey

JUJWROOIHBZHMG-RALIUCGRSA-N

INCHI

1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D

Isomere SMILES

[2H]C1=C(C(=NC(=C1[2H])[2H])[2H])[2H]

WGK Deutschland

2

Alternative CAS-Nummer

110-86-1（unlabled）

Molekulargewicht

84.13

Beilstein

114377

Reaxy-Rn

103233

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103233&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - 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 pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water, alcohol, ether, acetone, and benzene.
• Empfindlichkeit: Light & Moisture Sensitive
• Brechungsindex: 1.506
• Flammpunkt (°F): 62.6 °F
• Flammpunkt (°C): 17 °C
• Siedepunkt (°C): 114.4°C
• Schmelzpunkt (°C): -41°C
• Molekulargewicht: 84.130 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 84.0736 Da
• Monoisotopic Mass: 84.0736 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 30.900
• 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