5-アミノ-1H-テトラゾール

化学名:5-アミノ-1H-テトラゾール

CAS番号.4418-61-5

英語名:5-Aminotetrazole

CBNumberCB7112166

MFCH3N5

MW85.07

别名

5-アミノ-1H-テトラゾール

1H-テトラゾール-5-アミン

2H-テトラゾール-5-アミン

5-アミノ-1H-テトラゾール物理性質

融点	201-205 °C(lit.)
沸点	57.6°C (rough estimate)
比重(密度)	1.50 g/cm3
蒸気圧	0Pa at 25℃
屈折率	2.1050 (estimate)
酸解離定数(Pka)	pK1: 1.76;pK2: 6.07 (20°C)
外見	powder to crystal
色	White to Almost white
水溶解度	12g/L(18℃)
InChI	InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)
InChIKey	ULRPISSMEBPJLN-UHFFFAOYSA-N
SMILES	N1=C(N)N=NN1
LogP	-0.92 at 23℃
CAS データベース	4418-61-5(CAS DataBase Reference)
NISTの化学物質情報	1H-Tetrazol-5-amine(4418-61-5)
EPAの化学物質情報	1H-Tetrazol-5-amine (4418-61-5)

安全性情報

危険有害性情報のコード(GHS)

外観
白色～ほとんど白色, 結晶～結晶性粉末又は塊
溶解性
うすい塩酸に溶け、水にやや溶けにくく、エタノールにほとんど溶けない。
用途
有機合成原料。
化学的特性
A white or off-white crystalline powder with pronounced alkaline properties; it reacts with common acids to form salts.
主な応用
5-Aminotetrazole can be used as a propellant in pyrotechnic products, such as gas generators, airbags and smoke signal devices. Owing to its high nitrogen content (82 per cent) and high heat of combustion (208 kJ·mol⁻¹), it is often mixed with an oxidiser in practical applications.
危険性
Moderately toxic. An unstable material; explodes with KOH.
合成
5-Aminotetrazole (5-AT) is synthesized by reacting cyanamide or dicyandiamide with an azide salt at high temperature in the presence of an acidic reagent (such as boric acid). The pKa value of this acidic reagent is between 3 and 7. The reaction solution is heated to above 75°C, preferably at reflux temperature (usually above 90°C). No large amounts of azide acid are generated during the reaction. After the reaction is complete, a strong acid (such as hydrochloric acid) is added to the reaction solution to acidify it, lowering the pH to below 3, causing the generated 5-AT to be protonated and precipitated. Finally, the pure 5-AT product is separated by conventional methods such as filtration and washing. The synthetic route is shown below:

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