Butane-d10

Base Information

• Chemical Name: Butane-d10
• CAS No.: 7582-04-9
• Molecular Formula: C4D10
• Molecular Weight: 68.044
• European Community (EC) Number: 685-815-5
• DSSTox Substance ID: DTXSID60583920
• Nikkaji Number: J260.976B
• Wikidata: Q63408859
• Mol file: 7582-04-9.mol

Synonyms:Butane-d10;7582-04-9;1,1,1,2,2,3,3,4,4,4-decadeuteriobutane;BUTANE (D10);(~2~H_10_)Butane;Butane-d10, 98 atom % D;DTXSID60583920;Q63408859

Chemical Property of Butane-d10

Chemical Property:

• Vapor Pressure: 51.6 psi ( 37.7 °C)
• Melting Point: −138 °C(lit.)
• Refractive Index: 1.354
• Boiling Point: −0.5 °C(lit.)
• Flash Point: -60 °C
• PSA: 0.00000
• Density: 0.721g/cm³
• LogP: 1.80640
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 68.141017778
• Heavy Atom Count: 4
• Complexity: 2

Purity/Quality:

n-Butane-d10(gas) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi,T,F+
• Statements: 11-43-12-46-45
• Safety Statements: 16-33-36/37-45-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Technology Process of Butane-d10

There total 6 articles about Butane-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:

ethyl iodide (75-03-6) → butane-d10 (7582-04-9,352431-08-4) + 1,1,1,2,2-pentadeuterio-butane (69751-60-6) + iodoethane-d5 (6485-58-1) + n-butane (106-97-8,9003-29-6,9021-92-5)

Guidance literature:

With <(C2D5)Ni((1R,4R,8S,11S)-1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane)>⁺; lithium perchlorate; In sodium hydroxide; Product distribution; Mechanism; by mass spectral analysis;

DOI:10.1021/ja00264a024

Reference yield:

butane-d10 (7582-04-9,352431-08-4) + n-butane cation (106-97-8) → C4(2)H10(1+) (7582-04-9) + n-butane (106-97-8,9003-29-6,9021-92-5)

Guidance literature:

at 19.9 ℃; Thermodynamic data; Equilibrium constant; ΔH⁰, ΔS⁰, ΔG⁰;

DOI:10.1021/ja00408a011

Reference yield:

C4(2)H10(1+) (7582-04-9) + n-butane (106-97-8,9003-29-6,9021-92-5) → butane-d10 (7582-04-9,352431-08-4) + n-butane cation (106-97-8)

Guidance literature:

at 19.9 ℃; Thermodynamic data; Equilibrium constant; ΔH⁰, ΔS⁰, ΔG⁰;

DOI:10.1021/ja00408a011

upstream raw materials:

n-butane

ethyl iodide

butane-d₁₀

n-butane cation

Downstream raw materials:

n-butane

butane-d₁₀

n-butane cation

Refernces

• 1、 Meot-Ner (Mautner), M.,Sieck, L.W.,Ausloos, P.. "Ionization of Normal Alkanes: Enthalpy, Entropy, Structural, and Isotope Effects". . p. 5342 - 5348. Retrieved 2007/10/02.