1-Methylnaphthalene-d10

Base Information

• Chemical Name: 1-Methylnaphthalene-d10
• CAS No.: 38072-94-5
• Molecular Formula: C₁₁H₁₀
• Molecular Weight: 152.121
• European Community (EC) Number: 693-065-5
• DSSTox Substance ID: DTXSID00480545
• Nikkaji Number: J733.364A
• Wikidata: Q72493262
• Mol file: 38072-94-5.mol

Synonyms:1-Methylnaphthalene-d10;38072-94-5;1-Methylnaphthalene D10;1,2,3,4,5,6,7-heptadeuterio-8-(trideuteriomethyl)naphthalene;perdeuteromethylnaphthalene;DTXSID00480545;AKOS015912543;1-Methylnaphthalene-d10, 98 atom % D;D99686;1-(Methyl-d3)naphthalene-2,3,4,5,6,7,8-d7;A935625

Chemical Property of 1-Methylnaphthalene-d10

Chemical Property:

• Vapor Pressure: 0.0518mmHg at 25°C
• Refractive Index: n20/D 1.614(lit.)
• Boiling Point: 242.8 °C at 760 mmHg
• Flash Point: 82.2 °C
• PSA: 0.00000
• Density: 1.088 g/cm³
• LogP: 3.14820
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 152.141017778
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

98%min ^*data from raw suppliers

1-Methylnaphthalene-d10 98 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,N
• Statements: 22-36/37/38-42/43-51/53
• Safety Statements: 7-26-36/37/39-61-45-36/37-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC2=CC=CC=C12
• Isomeric SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=C(C(=C2C([2H])([2H])[2H])[2H])[2H])[2H])[2H])[2H]
• Uses: 1-Methylnaphthalene-d10 (CAS# 38072-94-5) is a useful isotopically labeled research compound.

Technology Process of 1-Methylnaphthalene-d10

There total 3 articles about 1-Methylnaphthalene-d10 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

1-Methylnaphthalene (90-12-0,34475-76-8) → [D10]1-methylnaphthalene (38072-94-5)

Guidance literature:

With deuteriated sodium hydroxide; water-d2; at 420 - 430 ℃; for 24h; supercritical pressure;

DOI:10.1016/0040-4039(96)00615-6

Reference yield:

1-Methylnaphthalene (90-12-0,34475-76-8) → 1,2,3,4,5,6,8-heptadeuterio-7-trideuteriomethyl-naphthalene (7297-45-2) + [D10]1-methylnaphthalene (38072-94-5)

Guidance literature:

With water-d2; hydrogen chloride; at 280 ℃; for 50h; Yield given. Yields of byproduct given;

Reference yield:

2-Methylnaphthalene (91-57-6,34468-07-0) → 1,2,3,4,5,6,8-heptadeuterio-7-trideuteriomethyl-naphthalene (7297-45-2) + [D10]1-methylnaphthalene (38072-94-5)

Guidance literature:

With water-d2; hydrogen chloride; at 280 ℃; for 50h; Yield given. Yields of byproduct given;

upstream raw materials:

1-Methylnaphthalene

2-Methylnaphthalene

Downstream raw materials:

C₁₁⁽²⁾H₈O

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