5-ethyl-1H-1,2,3,4-tetrazole

HCID 223464

Notes Reactions

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Basic information

CAS: 16687-59-5
Standard SMILES: CCc1nn[nH]n1
InChIKey: KYRMPMCAOPMOIR-UHFFFAOYSA-N
Molecular formula: C3H6N4
Average molar mass: 98.11 g/mol

Names & identifiers

Preferred name: 5-ethyl-1H-1,2,3,4-tetrazole
IUPAC: 5-ethyl-2H-tetrazole
English name: 1-Ethyl-1,2,3,4-tetrazole
Molecular formula: C3H6N4
Molecular weight: 98.11

Names & synonyms

5-ethyl-1H-1,2,3,4-tetrazoleRefChem:535480814-812-55-ethyl-2h-tetrazole5-Ethyl-1H-tetrazole16687-59-550764-78-85-ETHYLTETRAZOLE2H-Tetrazole, 5-ethyl-ethyltetrazoleNSC11137SCHEMBL51534

Show more names

1-Ethyl-1,2,3,4-tetrazole5-ethyl-1H-tetrazole(SALTDATA: FREE)

SCHEMBL253271SCHEMBL288836SCHEMBL288837SCHEMBL1051824SCHEMBL1051826SCHEMBL2047681SCHEMBL3066959MFCD06200778

Database identifiers

CAS: 16687-59-5
PubChem CID: 223464
EC Number: 814-812-5
Nikkaji: J1.447.504D

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 54.9

Physicochemical properties

Melting point: 98 · 98-99 °C
Boiling point: 232.5 · 232.5±23.0 °C(Predicted)
Density: 1.222 · 1.222±0.06 g/cm3(Predicted)
pka: 5.07 · 5.07±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362