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

CAS: 7291-22-7 Cat. No.: P140017 Formula: C₅D₅N Molecular Weight: 84.13 Beilstein Registry Number: 114377 EC Number: 230-720-2

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

Synonyms

Pentadeuteropyridine | Pyridine-d{5}

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

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.

Specifications

Synonyms

Pentadeuteropyridine | Pyridine-d{5}

Specifications & Purity

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

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Purity

≥99.5 atom% D

Names and Identifiers

Pubchem Sid

528772368

Canonical Smiles

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

Isomeric SMILES

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

WGK Germany

2

Alternate CAS

110-86-1（unlabled）

Molecular Weight

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
    • Class Pyridines and derivatives

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

Chemical and Physical Properties

• Solubility: Soluble in water, alcohol, ether, acetone, and benzene.
• Sensitivity: Light & Moisture Sensitive
• Refractive Index: 1.506
• Flash Point(°F): 62.6 °F
• Flash Point(°C): 17 °C
• Boil Point(°C): 114.4°C
• Melt Point(°C): -41°C
• Molecular Weight: 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