5-(2,3-Dichlorophenyl)-2H-tetrazole

C7H4Cl2N4CAS 175205-12-6215.04 g/mol

Open in Covalent MOL file
ClNNNHNCl
Aryl halide

Properties

Molecular formula
C7H4Cl2N4
Molar mass
215.04 g/mol
Exact mass
213.9813 Da
logP
2.17Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
175205-12-6
SMILES
Clc1cccc(-c2nn[nH]n2)c1Cl
InChIKey
OICQEAMHYWSULT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl2N4/c8-5-3-1-2-4(6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)

Weigh it out

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Names and synonyms

4 names
  • 2H-Tetrazole, 5-(2,3-dichlorophenyl)-
  • 1H-Tetrazole, 5-(2,3-dichlorophenyl)-
  • 5-[2,3-Dichlorophenyl]tetrazole
  • 5-(2,3-Dichlorophenyl)-1H-tetrazole

Work with 5-(2,3-Dichlorophenyl)-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-(2-Chlorophenyl)-2H-1,2,3,4-tetrazole50907-46-574 % similar 5-(2-Bromophenyl)-2H-tetrazole73096-42-151 % similar 5-(2-Iodophenyl)-1H-tetrazole73096-40-950 % similar 5-(4′-Methyl-1,1′-biphenyl-2-yl)-1H-tetrazole120568-11-845 % similar 5-(3-Fluorophenyl)-2H-1,2,3,4-tetrazole50907-20-545 % similar 2,3-Dichlorobiphenyl16605-91-744 % similar 5-Phenyltetrazole18039-42-444 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(2,6-Dichlorophenyl)-1H-tetrazole50907-31-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook