IUPAC Name: 2H-Tetrazol-5-amine
Molecular Formula: CH3N5
Molecular Weight: 85.06802 g/mol
Appearance: white crystal
Density: 1.711 g/cm3
Melting Point: 201-205 °C(lit.)
Boiling Point: 360.4 °C at 760 mmHg
Flash Point: 199.1 °C
Index of Refraction: 1.699
Molar Refractivity: 19.19 cm3
Molar Volume: 49.7 cm3
Surface Tension: 154.1 dyne/cm
Enthalpy of Vaporization: 60.61 kJ/mol
Vapour Pressure: 2.23E-05 mmHg at 25 °C
XLogP3-AA: -0.9
H-Bond Donor: 2
H-Bond Acceptor: 4
Tautomer Count: 4
Exact Mass: 85.038845
MonoIsotopic Mass: 85.038845
Topological Polar Surface Area: 80.5
Heavy Atom Count: 6
Canonical SMILES: C1(=NNN=N1)N
InChI: InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)
InChIKey: ULRPISSMEBPJLN-UHFFFAOYSA-N
EINECS: 224-581-7
Product Categories: Miscellaneous; pharmacetical; Building Blocks; Heterocyclic Building Blocks; Tetrazoles
5-Aminotetrazole(CAS NO.4418-61-5) is used as intermediate in organic synthesis.
1. | ipr-mus LD50:2500 mg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 41 (1978),249. |
Reported in EPA TSCA Inventory.
Hazard Codes: Xn, F, Xi
Risk Statements: 22-36/37/38-20/21/22-11
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: 26-36/37-36-16-7/9
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.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
RIDADR: 1325
WGK Germany: 3
RTECS: XF7465000
Hazard Note: Flammable/Irritant
HazardClass: 4.1
PackingGroup: III
Moderately toxic by intraperitoneal route. An unstable material; explodes with KOH. When heated to decomposition it emits toxic fumes of NOx.
5-Aminotetrazole(CAS NO.4418-61-5) is also named as 1H-Tetrazol-5-amine ; 5-Amino-1,2,3,4-tetrazole ; 5-Aminotetrazole ; 5-Aminotetrazole ; AI3-23021 ; NSC 3004 ; 1H-Tetrazole, 5-amino- ; 2H-Tetrazol-5-amine ; Tetrazol-5-ylamine . Aminotetrazole (CAS NO.4418-61-5) is flammable. It will produce toxic nitrogen oxide fumes by high heat. So the
storage environment should be ventilate, low-temperature and dry. Keep Aminotetrazole (CAS NO.4418-61-5) separate from potassium hydroxide.
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