1-Methylnaphthalene-d₁₀ - ≥98 atom% D,≥98% , CAS No.38072-94-5

CAS: 38072-94-5 Cat. No.: M472138 Summenformel: C₁₀D₇CD₃ Molekulargewicht: 152.26 EG-Nummer: 693-065-5

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

perdeuteromethylnaphthalene | 1,2,3,4,5,6,7-heptadeuterio-8-(trideuteriomethyl)naphthalene | AKOS015912543 | 1-Methylnaphthalene D10 | 1-Methylnaphthalene-d10, 98 atom % D | D99686 | A935625 | DTXSID00480545 | 1-Methylnaphthalene-d10 | 1-(Methyl-d3)naphth

Storage

Room temperature

Specifications

Synonyme

perdeuteromethylnaphthalene | 1,2,3,4,5,6,7-heptadeuterio-8-(trideuteriomethyl)naphthalene | AKOS015912543 | 1-Methylnaphthalene D10 | 1-Methylnaphthalene-d10, 98 atom % D | D99686 | A935625 | DTXSID00480545 | 1-Methylnaphthalene-d10 | 1-(Methyl-d3)naphth

Spezifikationen & Reinheit

≥98 atom% D,≥98%

Storage

Room temperature

Reinheit

≥98 atom% D,≥98%

Namen und Kennungen

Kanonisches Lächeln

CC1=CC=CC2=CC=CC=C12

IUPAC Name

1,2,3,4,5,6,7-heptadeuterio-8-(trideuteriomethyl)naphthalene

InChIKey

QPUYECUOLPXSFR-UZHHFJDZSA-N

INCHI

1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3/i1D3,2D,3D,4D,5D,6D,7D,8D

Isomere SMILES

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

UN-Nummer

3082

Molekulargewicht

152.26

Reaxy-Rn

506793

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20/D 1.614 (lit.)
• Flammpunkt (°F): 179.6 °F - closed cup
• Flammpunkt (°C): 82.00 °C - closed cup
• Siedepunkt (°C): 240-243℃ (lit.)
• Molekulargewicht: 152.260 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 152.141 Da
• Monoisotopic Mass: 152.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 128.000
• Isotope Atom Count: 10
• 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