Nitric acid-d solution - ≥99 atom% D, 65 wt.% in D2O , CAS No.13587-52-5

CAS: 13587-52-5 Cat. No.: N121305 Molecular Weight: 64.02 EC Number: 237-024-8

GRADE & PURITY ≥99 atom% D, 65 wt.% in D2O

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Nitric acid-d solution 65 wt. % in D2O, 99 atom % D is a high-purity isotope product with a unique chemical profile that belongs to the class of isotopes.

Application

- Chemical synthesis of labeled compounds

- Pharmaceutical formulation development

- reaction mechanism investigations

- Quality control reference standards

Specifications

Specifications & Purity

≥99 atom% D, 65 wt.% in D2O

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥99 atom% D

Names and Identifiers

• Canonical Smiles: [N+](=O)(O)[O-]
• IUPAC Name: deuterio nitrate
• InChIKey: GRYLNZFGIOXLOG-DYCDLGHISA-N
• INCHI: 1S/HNO3/c2-1(3)4/h(H,2,3,4)/i/hD
• Isomeric SMILES: [2H]O[N+](=O)[O-]
• WGK Germany: 1
• Alternate CAS: 7697-37-2 (unlabelled)
• Molecular Weight: 64.02
• Reaxy-Rn: 3587310
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3587310&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Homogeneous non-metal compounds
    • Class Non-metal oxoanionic compounds
      • Subclass Non-metal nitrates

• Kingdom: Inorganic compounds
• Superclass: Homogeneous non-metal compounds
• Class: Non-metal oxoanionic compounds
• Subclass: Non-metal nitrates
• Intermediate Tree Nodes: Not available
• Direct Parent: Non-metal nitrates
• Alternative Parents: Inorganic salts Inorganic oxides
• Molecular Framework: Not available
• Substituents: Non-metal nitrate - Inorganic oxide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as non-metal nitrates. These are inorganic non-metallic compoundscontaining a nitrate as its largest oxoanion.
• 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

• Sensitivity: Light sensitive,Hygroscopic.
• Refractive Index: 1.3959
• Molecular Weight: 64.019 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 64.0019 Da
• Monoisotopic Mass: 64.0019 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 24.800
• Isotope Atom Count: 1
• 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