N-HEPTANE-D16

Base Information

• Chemical Name: N-HEPTANE-D16
• CAS No.: 33838-52-7
• Molecular Formula: C7D16
• Molecular Weight: 116.077
• Hs Code.: 28459000
• Mol file: 33838-52-7.mol

Synonyms:Heptane-d16(8CI,9CI);Heptane-d16;Perdeuteroheptane;

Chemical Property of N-HEPTANE-D16

Chemical Property:

• Appearance/Colour: colourless liquid with a gasoline-like smell
• Vapor Pressure: 40 mm Hg ( 20 °C)
• Melting Point: -91 °C
• Refractive Index: n20/D 1.3844(lit.)
• Boiling Point: 98.8 °C at 760 mmHg
• Flash Point: 30 °F
• PSA: 0.00000
• Density: 0.807 g/cm³
• LogP: 2.97670
• Storage Temp.: Flammables area
• Sensitive.: Hygroscopic
• Solubility.: Difficult to mix.

Purity/Quality:

99%, ^*data from raw suppliers

Heptane-d16 99 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11-67-65-50/53-38
• Safety Statements: 9-16-23-29-33-62-61-60

MSDS Files:

SDS file from LookChem

Useful:

• Uses: n-Heptane-d16 (Reagent grade) (CAS# 33838-52-7) is a useful isotopically labeled research compound.

Technology Process of N-HEPTANE-D16

There total 3 articles about N-HEPTANE-D16 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:

carbon dioxide (124-38-9,18923-20-1) → n-heptane (142-82-5) + deuterio-n-heptane-d16 (33838-52-7,42903-71-9)

Guidance literature:

With water-d2; under 1520.1 Torr;

Reference yield:

Cyclohexane-d12 (1735-17-7) + deuterio-n-heptane-d16 cation → deuterio-n-heptane-d16 (33838-52-7,42903-71-9) + deuterio-cyclohexane-d12 cation (1735-17-7)

Guidance literature:

at 61.9 ℃; Equilibrium constant; Irradiation;

DOI:10.1021/j100215a030

Reference yield:

n-heptane (142-82-5) → deuterio-n-heptane-d16 (33838-52-7,42903-71-9)

Guidance literature:

With HYDROCORTISONE; deuterium; Pt(10,8,7); at 299.9 ℃; under 220 Torr; other temperature;

DOI:10.1021/j100232a019

upstream raw materials:

n-heptane

Cyclohexane-d12

carbon dioxide

Downstream raw materials:

Cyclohexane-d12

Refernces

• 1、 Davis, S. M.,Somorjai, G. A.. "Deuterium Exchange Reactions of Isobutane, n-Hexane, and n-Heptane Catalyzed over Platinum Single Crystal Surfaces". . p. 1545 - 1552. Retrieved 2007/10/02.