5-Chloromethyl-1H-tetrazole

C₂H₃ClN₄CAS 55408-11-2118.52 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₂H₃ClN₄
Molar mass: 118.52 g/mol
Exact mass: 118.0046 Da
logP: -0.06Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

55408-11-2

SMILES

C(C1=NNN=N1)Cl

InChIKey

AGWSISOYPHROLN-UHFFFAOYSA-N

InChI

InChI=1S/C2H3ClN4/c3-1-2-4-6-7-5-2/h1H2,(H,4,5,6,7)

Weigh it out

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

Work with 5-Chloromethyl-1H-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

Similar compounds

5-(2-Chloroethyl)-2H-tetrazole18755-46-960 % similar 5-Benzyl-1H-tetrazole18489-25-343 % similar Tetrazole-5-acetic acid21743-75-943 % similar Ethyl 2-(2H-1,2,3,4-tetraazol-5-yl)acetate13616-37-036 % similar 5-Methyl-2H-tetrazole4076-36-235 % similar Aminotetrazole5378-49-435 % similar 5-(Ethylthio)-1H-tetrazole89797-68-232 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook