5-(2-Chloroethyl)-2H-tetrazole

C3H5ClN4CAS 18755-46-9132.55 g/mol

Open in Covalent MOL file
ClNNNHN
Alkyl halide

Properties

Molecular formula
C3H5ClN4
Molar mass
132.55 g/mol
Exact mass
132.0203 Da
logP
-0.02Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
18755-46-9
SMILES
ClCCc1nn[nH]n1
InChIKey
YZQCWPFTAAUGPS-UHFFFAOYSA-N
InChI
InChI=1S/C3H5ClN4/c4-2-1-3-5-7-8-6-3/h1-2H2,(H,5,6,7,8)

Weigh it out

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Names and synonyms

5 names
  • 2H-Tetrazole, 5-(2-chloroethyl)-
  • 5-(2-Chloroethyl)-1H-tetrazole
  • 1H-Tetrazole, 5-(2-chloroethyl)-
  • 5-(2-Chloroethyl)tetrazole
  • 5-(2-Chloro-ethyl)-2H-tetrazole

Work with 5-(2-Chloroethyl)-2H-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-Chloromethyl-1H-tetrazole55408-11-260 % similar 5-Benzyl-1H-tetrazole18489-25-341 % similar Tetrazole-5-acetic acid21743-75-941 % similar Ethyl 2-(2H-1,2,3,4-tetraazol-5-yl)acetate13616-37-034 % similar 5-Methyl-2H-tetrazole4076-36-232 % similar Aminotetrazole5378-49-432 % similar 5-(Ethylthio)-1H-tetrazole89797-68-230 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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