Naphthalene-d8 - ≥99 atom% D,≥98% , CAS No.1146-65-2

CAS: 1146-65-2 Cat. No.: N141241 Formula: C₁₀D₈ Molecular Weight: 136.22 EC Number: 214-552-7

GRADE & PURITY ≥99 atom% D,≥98%

Synonyms

1,2,3,4,5,6,7,8-Octadeuterionaphthalene | Octadeutronaphthalene | J-003121 | AKOS015903735 | Perdeuterated naphthalene | Naphthalene D8 10 microg/mL in Cyclohexane | UFWIBTONFRDIAS-PGRXLJNUSA-N | D98914 | Naphthalene-d8 | Naphthalene D8 | Naphthalene-1,2,

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

1,2,3,4,5,6,7,8-Octadeuterionaphthalene | Octadeutronaphthalene | J-003121 | AKOS015903735 | Perdeuterated naphthalene | Naphthalene D8 10 microg/mL in Cyclohexane | UFWIBTONFRDIAS-PGRXLJNUSA-N | D98914 | Naphthalene-d8 | Naphthalene D8 | Naphthalene-1,2,

Specifications & Purity

≥99 atom% D,≥98%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Purity

≥99 atom% D,≥98%

Names and Identifiers

Pubchem Sid

504756104

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756104

Canonical Smiles

C1=CC=C2C=CC=CC2=C1

IUPAC Name

1,2,3,4,5,6,7,8-octadeuterionaphthalene

InChIKey

UFWIBTONFRDIAS-PGRXLJNUSA-N

INCHI

1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D

Isomeric SMILES

[2H]C1=C(C(=C2C(=C(C(=C(C2=C1[2H])[2H])[2H])[2H])[2H])[2H])[2H]

Alternate CAS

91-20-3(Unlabeled)

UN Number

1334

Packing Group

III

Molecular Weight

136.22

Reaxy-Rn

1421310

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1421310&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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: Moisture sensitive；Light sensitive
• Flash Point(°C): 78℃
• Boil Point(°C): 218℃
• Melt Point(°C): 81-83℃
• Molecular Weight: 136.220 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.113 Da
• Monoisotopic Mass: 136.113 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 80.600
• 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

Frequently Asked Questions

What is the purity of this product?

This product is isotopically enriched to ≥99 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1146-65-2, the molecular formula is C10D8, and the molecular weight is 136.22 g/mol. InChIKey UFWIBTONFRDIAS-PGRXLJNUSA-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.