Thiophene-d4

Base Information

• Chemical Name: Thiophene-d4
• CAS No.: 2036-39-7
• Molecular Formula: C₄H₄S
• Molecular Weight: 88.11
• DSSTox Substance ID: DTXSID50174285
• Nikkaji Number: J1.937.764D
• Wikidata: Q83044350
• Mol file: 2036-39-7.mol

Synonyms:Thiophene-d4;2036-39-7;2,3,4,5-tetradeuteriothiophene;Thiophene-2,3,4,5-d4;(?H?)thiophene;DTXSID50174285;D98383;A935668

Chemical Property of Thiophene-d4

Chemical Property:

• Vapor Pressure: 81.7mmHg at 25°C
• Boiling Point: 84.2°Cat760mmHg
• Flash Point: °C
• PSA: 28.24000
• Density: 1.117g/cm³
• LogP: 1.74810
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 88.02847828
• Heavy Atom Count: 5
• Complexity: 22.8

Purity/Quality:

99%, ^*data from raw suppliers

Thiophene-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=C1
• Isomeric SMILES: [2H]C1=C(SC(=C1[2H])[2H])[2H]
• Uses: Thiophene-2,3,4,5-d4 is the labelled compound of Thiophene( T368080). Thiophene is used as a building block of various organic molecules and pharmaceuticals providing functional properties.

Technology Process of Thiophene-d4

There total 6 articles about Thiophene-d4 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: 80.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) → d4-thiophene (2036-39-7)

Guidance literature:

With phosphorus pentoxide; In water-d2; at 20 - 120 ℃; for 24h;

Reference yield:

2,3,4,5-tetraiodo-thiophene (19259-11-1) + deuteroacetic acid (758-12-3) → d4-thiophene (2036-39-7)

Guidance literature:

With water-d2; zinc;

DOI:10.1063/1.1743138

Reference yield:

→ d4-thiophene (2036-39-7)

Guidance literature:

With water-d2; hydrogen chloride;

upstream raw materials:

2,3,4,5-tetraiodo-thiophene

deuteroacetic acid

thiophene