Tetrahydrofuran-d8 - ≥99.5 atom% D , CAS No.1693-74-9

CAS: 1693-74-9 Cat. No.: T102271 Molecular Weight: 80.16 Beilstein Registry Number: 111854 EC Number: 216-898-4 PubChem CID: 80290

GRADE & PURITY ≥99.5 atom% D

Synonyms

Deuterated tetrahydrofuran

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Tetrahydrofuran-d8 (THF-d8), a deuterated derivative of tetrahydrofuran, is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical). It participates as a solvent in an intermolecular proton exchange reaction between methanol and acetic acid. Kinetics of this reaction has been studied by ′H NMR line shape analysis. Infrared spectral studies of THF and THF-d8 have been investigated in the range of 10 and 300cm-1.

Specifications

Synonyms

Deuterated tetrahydrofuran

Specifications & Purity

≥99.5 atom% D

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99.5 atom% D

Names and Identifiers

• Canonical Smiles: [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]
• IUPAC Name: 2,2,3,3,4,4,5,5-octadeuteriooxolane
• InChIKey: WYURNTSHIVDZCO-SVYQBANQSA-N
• INCHI: 1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2
• Isomeric SMILES: [2H]C1(C(C(OC1([2H])[2H])([2H])[2H])([2H])[2H])[2H]
• WGK Germany: 1
• Alternate CAS: 109-99-9
• PubChem CID: 80290
• UN Number: 2056
• Molecular Weight: 80.16
• Beilstein: 111854

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• 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: Miscible with water.
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.403
• Flash Point(°F): 0.5 °F
• Flash Point(°C): -17°C
• Boil Point(°C): 65-66°C
• Melt Point(°C): -106°C
• Molecular Weight: 80.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 80.1077 Da
• Monoisotopic Mass: 80.1077 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 22.800
• Isotope Atom Count: 8
• 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

References

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