Hexatriacontane-d74

Base Information

• Chemical Name: Hexatriacontane-d74
• CAS No.: 16416-34-5
• Molecular Formula: C₃₆H₇₄
• Molecular Weight: 580.396
• DSSTox Substance ID: DTXSID00583747
• Mol file: 16416-34-5.mol

Synonyms:Hexatriacontane-d74;16416-34-5;n-hexatriacontane-d74;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31,32,32,33,33,34,34,35,35,36,36,36-tetraheptacontadeuteriohexatriacontane;(~2~H_74_)Hexatriacontane;DTXSID00583747;HY-W131353S;MS-30428;CS-0226360;D99311;Hexatriacontane-d74, 98 atom % D, 99% (CP);J-010120

Chemical Property of Hexatriacontane-d74

Chemical Property:

• Vapor Pressure: 1.56E-09mmHg at 25°C
• Melting Point: 73-75 °C(lit.)
• Boiling Point: 265 °C(lit.)
• Flash Point: 366.4°C
• PSA: 0.00000
• Density: 0.933g/cm³
• LogP: 14.28960
• XLogP3: 19.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 33
• Exact Mass: 581.04353156
• Heavy Atom Count: 36
• Complexity: 312

Purity/Quality:

98% ^*data from raw suppliers

Hexatriacontane-d74 98 atom % D, 99% (CP) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• Uses: n-Hexatriacontane-d74 (CAS# 16416-34-5) is a useful isotopically labeled research compound.

Technology Process of Hexatriacontane-d74

There total 1 articles about Hexatriacontane-d74 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: 89.0%

hexatriacontane (630-06-8) → n-hexatriacontane-d74 (16416-34-5)

Guidance literature:

With d8-isopropanol; 5% rhodium-on-charcoal; 10% Pt/activated carbon; water-d2; at 120 ℃; for 24h; Sealed tube;

DOI:10.1039/c4ra16386a

upstream raw materials:

hexatriacontane

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