1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine

Base Information

• Chemical Name: 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine
• CAS No.: 15284-31-8
• Molecular Formula: C3H6 Cl N5
• Molecular Weight: 147.567
• NSC Number: 57259
• DSSTox Substance ID: DTXSID50165138
• Nikkaji Number: J2.743.654D
• Wikidata: Q83034280
• Mol file: 15284-31-8.mol

Synonyms:15284-31-8;1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine;NSC57259;NSC 57259;DTXSID50165138;NSC-57259;AKOS006339931;4-(2-chloroethyl)-1H-tetrazol-5-imine;1-(2-Chloroethyl)-1H-tetrazole-5-amine

Chemical Property of 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine

Chemical Property:

• Vapor Pressure: 0.000136mmHg at 25°C
• Boiling Point: 333.5°Cat760mmHg
• Flash Point: 155.5°C
• Density: 1.77g/cm³
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 147.0311729
• Heavy Atom Count: 9
• Complexity: 88.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)N1C(=NN=N1)N

Technology Process of 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine

There total 4 articles about 1-(2-Chloroethyl)-1,4-dihydro-5H-tetraazol-5-imine 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%

5-amino-1-hydroxyethyl-1H-tetrazole (15284-29-4) → 1-(2-chloroethyl)-5-aminotetrazole (15284-31-8)

Guidance literature:

With thionyl chloride;

DOI:10.1002/chem.200802203

Reference yield:

5-aminotetrazole (4418-61-5) + 1-Bromo-2-chloroethane (107-04-0) → 1-(2-chloroethyl)-5-aminotetrazole (15284-31-8)

Guidance literature:

With tetrabutyl-ammonium chloride; sodium hydroxide; In water; acetonitrile; at 70 ℃; for 18h;

DOI:10.1002/pola.24075

Reference yield:

3-Chloropropionitrile (542-76-7) → 1-(2-chloroethyl)-5-aminotetrazole (15284-31-8)

Guidance literature:

With tris-(2-chloro-ethyl)-amine; sulfuric acid; benzene;

DOI:10.1021/jo01141a021

upstream raw materials:

3-Chloropropionitrile

5-amino-1-hydroxyethyl-1H-tetrazole

5-aminotetrazole

1-Bromo-2-chloroethane

Downstream raw materials:

1-vinyl-5-amino[1,2,3,4]tetrazole