Tetrazole

CH₂N₄CAS 27988-97-270.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: CH₂N₄
Molar mass: 70.05 g/mol
Exact mass: 70.0279 Da
logP: -0.80Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H201 (Deleted) Explosive; mass explosion hazard80% of notifiers
H272 May intensify fire; oxidizer50% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation20% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P220, P230, P240, P250, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P370+P380, P372, P373, P401, P501

Identifiers

CAS number

27988-97-2

SMILES

C1=NNN=N1

InChIKey

KJUGUADJHNHALS-UHFFFAOYSA-N

InChI

InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1H-Tetrazole

Work with Tetrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tetrazole288-94-8

Elsewhere

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