ChemicalBook--->CAS DataBase List--->4418-61-5

4418-61-5

4418-61-5 Structure

4418-61-5 Structure
IdentificationMore
[Name]

5-Aminotetrazole
[CAS]

4418-61-5
[Synonyms]

1H-TETRAZOL-5-AMINE
5-AMINO-1H-TETRAZOLE
5-AMINOTETRAZOLE
AURORA KA-6577
Tetrazol-5-ylamine
1H-Tetrazole, 5-amino-
2H-Tetraazol-5-amine
5-Amino-1,2,3,4-tetrazole
5-amino-1h-tetrazol
5-Amino-2H-tetrazole
aminotetrazole
etrazole, 5-amino-
H-Tetrazol-5-ylamine
-Tetrazolamine
5-Amino-1H-1,2,3,4-tetrazole
1H-TETRAZOL-5-YLAMINE
5-Amino-1h-1,2,3,4 Tetrazole (Monohydrate)
5-AMINO-1H-TETRAZOLE 1-HYDRATE
Tetrazol-5-ylamine,1H-Tetrazol-5-amine
5-Amino-IH-tetrazole
[EINECS(EC#)]

224-581-7
[Molecular Formula]

CH3N5
[MDL Number]

MFCD00005248
[Molecular Weight]

85.07
[MOL File]

4418-61-5.mol
Chemical PropertiesBack Directory
[Melting point ]

201-205 °C(lit.)
[Boiling point ]

57.6°C (rough estimate)
[density ]

1.50 g/cm3
[vapor pressure ]

0Pa at 25℃
[refractive index ]

2.1050 (estimate)
[form ]

powder to crystal
[pka]

pK1: 1.76;pK2: 6.07 (20°C)
[color ]

White to Almost white
[Water Solubility ]

12g/L(18 ºC)
[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 DataBase Reference]

4418-61-5(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-Tetrazol-5-amine(4418-61-5)
[EPA Substance Registry System]

4418-61-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H228-H302+H312+H332
[Precautionary statements ]

P210-P240-P241-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
[Hazard Codes ]

Xn,F,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S16:Keep away from sources of ignition-No smoking .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

1325
[WGK Germany ]

3
[RTECS ]

XF7465000
[Hazard Note ]

Flammable/Irritant
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

4.1
[PackingGroup ]

III
[HS Code ]

29339900
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Amino-1H-tetrazole(4418-61-5).msds
Hazard InformationBack Directory
[Hazard]

Moderately toxic. An unstable material; explodes with KOH.
[Chemical Properties]

White Crystalline powder
[Uses]

organic intermediate
[Application]

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.
[Flammability and Explosibility]

Notclassified
[Synthesis]

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:
synthesis of 5-Aminotetrazole
[References]

[1] de Jesus, I. S., Gomes, A. T., Sande, I., & Cunha, S. (2024). Three-Component Synthesis of 1-Substituted 5-Aminotetrazoles Promoted by Bismuth Nitrate. The Journal of Organic Chemistry, 63 1. https://doi.org/10.1021/acs.joc.4c01727
[2] Yanzhao Hao . (2024). Construction of energetic metal-organic frameworks based on 5-aminotetrazole. Inorganic Chemistry Communications, 164, Article 112354. https://doi.org/10.1016/j.inoche.2024.112354
Spectrum DetailBack Directory
[Spectrum Detail]

5-Aminotetrazole(4418-61-5)MS
5-Aminotetrazole(4418-61-5)13CNMR
5-Aminotetrazole(4418-61-5)IR1
5-Aminotetrazole(4418-61-5)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4418-61-5(sigmaaldrich)
[TCI AMERICA]

5-Amino-1H-tetrazole,>98.0%(T)(4418-61-5)
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