1H-Tetrazole-1,5-diamine

Base Information

• Chemical Name: 1H-Tetrazole-1,5-diamine
• CAS No.: 2165-21-1
• Molecular Formula: CH4N6
• Molecular Weight: 100.083
• Hs Code.: 2933990090
• NSC Number: 206228
• DSSTox Substance ID: DTXSID80308652
• Nikkaji Number: J1.492.165F
• Wikidata: Q15810510
• Mol file: 2165-21-1.mol

Synonyms:tetrazole-1,5-diamine;1H-Tetrazole-1,5-diamine;2165-21-1;1,5-diaminotetrazole;NSC 206228;NSC206228;1,5-Diaminotetrazol;1,5-diamino-1h-tetrazole;SCHEMBL507708;1H-Tetraazole-1,5-diamine #;CHEBI:87539;DTXSID80308652;STK346878;AKOS000295393;FS-5709;NSC-206228;1H-1,2,3,4-tetrazole-1,5-diamine;CS-0116019;EN300-126849;Q15810510

Chemical Property of 1H-Tetrazole-1,5-diamine

Chemical Property:

• Vapor Pressure: 1.35E-06mmHg at 25°C
• Melting Point: 185-186 °C(Solv: water (7732-18-5))
• Boiling Point: 399.7°C at 760 mmHg
• PKA: 2?+-.0.10(Predicted)
• Flash Point: 195.5°C
• PSA: 95.64000
• Density: 2.62g/cm³
• LogP: -0.86850
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 100.04974415
• Heavy Atom Count: 7
• Complexity: 61.2

Purity/Quality:

99% ^*data from raw suppliers

Tetrazole-1,5-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NN=NN1N)N

Technology Process of 1H-Tetrazole-1,5-diamine

There total 10 articles about 1H-Tetrazole-1,5-diamine 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: 79.0%

cyanogen azide (764-05-6) → 1,5-diaminotetrazole (2165-21-1)

Guidance literature:

With hydrazine; In water; acetone; at 0 - 20 ℃; for 4h;

DOI:10.1002/anie.200801886

Reference yield: 72.0%

bromocyane (506-68-3) → 1,5-diaminotetrazole (2165-21-1)

Guidance literature:

bromocyane; With sodium azide; In acetonitrile; for 3h; Cooling with ice;

With hydrazine hydrate; In acetonitrile; at 0 ℃; for 3h;

DOI:10.1039/b925267c

Reference yield: 59.0%

thiosemicarbazide (79-19-6) → 1,5-diaminotetrazole (2165-21-1)

Guidance literature:

With sodium azide; lead(II) oxide; ammonium chloride; In N,N-dimethyl-formamide; at 100 ℃; for 6h;

DOI:10.1007/BF00505966

upstream raw materials:

5-aminotetrazole potassium salt

thiosemicarbazide

ethanol

cyanogen azide

Downstream raw materials:

5-aminotetrazole

N,N-bis(p-nitrophenyl)amine

4-nitro-aniline

picramide

Refernces

• 1、 Tramblay. "-". . p. 1154,1156. Retrieved 1965.
• 2、 Jin, Cheng,Liu, Ying,Wang, Lijuan,Zhang, Tonglai,Zhang, Weijing,Zhu, Jinlong. "Pressure-induced phase transition of 1,5-diamino-1: H -tetrazole (DAT) under high pressure". . p. 30069 - 30076. Retrieved 2020.
• 3、 Zhang, Jian-Guo,Li, Jing-Yu,Zang, Yan,Shu, Yuan-Jie,Zhang, Tong-Lai,Yang, Li,Power, Philip P.. "Synthesis and characterization of a novel energetic complex [Cd(DAT) 6](NO3)2 (DAT = 1,5-diamino-tetrazole) with high nitrogen content". . p. 1147 - 1151. Retrieved 2010.