chempirical

Tetrazolium chloride

C19H15ClN4CAS 298-96-4334.81 g/mol

Open in Covalent MOL file
Cl−NNN+N

Properties

Molecular formula
C19H15ClN4
Molar mass
334.81 g/mol
Exact mass
334.0985 Da
Melting point
243 °C (decomposes)
logP
0.21Crippen estimate
Polar surface area
34.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 165 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number
298-96-4
SMILES
[Cl-].c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1
InChIKey
PKDBCJSWQUOKDO-UHFFFAOYSA-M
InChI
InChI=1S/C19H15N4.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1

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Names and synonyms

18 names · show all
  • 2H-Tetrazolium, 2,3,5-triphenyl-, chloride (1:1)
  • 2,3,5-Triphenyl-2H-tetrazolium chloride
  • 2H-Tetrazolium, 2,3,5-triphenyl-, chloride
  • PTB
  • Red tetrazolium
  • RT
  • TPTZ
  • 2,3,5-Triphenyltetrazolium chloride
  • Triphenyltetrazolium chloride
  • TTC
  • Vitastain
  • TT
  • Uroscreen
  • 1,3,5-Triphenyl-2H-tetrazolium chloride
  • 1,3,5-Triphenyltetrazolium chloride
  • Urocheck
  • Tetrazolium red
  • TTC (dye)

Work with Tetrazolium chloride

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.

2,3,5-Triphenyltetrazolium bromide1096-80-6Salt

Similar compounds

Tetrazolium violet1719-71-764 % similar Blue tetrazolium1871-22-357 % similar Int (chemical)146-68-957 % similar (3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide)298-93-149 % similar Nitro Blue Tetrazolium chloride298-83-943 % similar Tetranitro blue tetrazolium chloride1184-43-637 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-632 % similar 1,3-Diphenyl-1H-pyrazol-5-amine5356-71-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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