Aminotetrazole

HCID 20467

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4418-61-5
Standard SMILES: Nc1nn[nH]n1
InChIKey: ULRPISSMEBPJLN-UHFFFAOYSA-N
Molecular formula: CH3N5
Average molar mass: 85.07 g/mol
Monoisotopic mass: 85.0388451

Names & identifiers

Preferred name: Aminotetrazole
IUPAC: 2H-tetrazol-5-amine
English name: 5-AMINO-1H-TETRAZOLE
Molecular formula: CH3N5
Molecular weight: 85.07

Names & synonyms

5-Aminotetrazole4418-61-55-AMINO-1H-TETRAZOLEAminotetrazoleTetrazol-5-ylamine1H-Tetrazole, 5-amino-5-Amino tetrazoleNSC-300428JR5LD42TDTXSID7052103RefChem:532063DTXCID9030670

Show more names

AURORA KA-65771-Aminotetrazole1H-Tetrazol-1-amine5-Amino Tetrazole anhydrous

224-581-71H-Tetrazol-5-amine2H-Tetrazol-5-amine5-Amino-1,2,3,4-tetrazole5378-49-41H-1,2,3,4-TETRAZOL-5-AMINENSC 30045-amino-tetrazole

Database identifiers

CAS: 4418-61-5、5378-49-4
PubChem CID: 20467
DTXSID: DTXSID7052103
ChEMBL: CHEMBL4469714
UNII: 28JR5LD42T
EC Number: 224-581-7、695-660-5
Nikkaji: J3.323.935A、J3.323.936J、J3.323.937H、J39.093C

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 80.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 43.2

Experimental & physicochemical properties

Physical DescriptionCBI

Physicochemical properties

Melting point: 201 · 201-205 °C(lit.)
Boiling point: 273 ℃ · 273℃
Density: 2.06 · 2.06
refractive index: 2.105 · 2.1050 (estimate)
Flash point: 119 ℃ · 119℃
pka: 1.73 · 1.73±0.10(Predicted)
CAS DataBase Reference: 5378 · 5378-49-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36/37
WGK Germany: 3 · 3
RTECS: 7465000 · XF7465000

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 0.5% (1 of 205) of reports.

Danger

H302 (26.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 205 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Hazard information

Regulatory Information · 2 items

2H-Tetrazol-5-amine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Tetrazol-5-amine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 31-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/25457

Hazard Classes and Categories · 2 items

Acute Tox. 4 (26.3%)

Skin Irrit. 2 (100%)

Safety data

wgk: 3
rtecs: XF7465000
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P