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298-95-3

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Basic Information
CAS No.: 298-95-3
Name: Neotetrazolium chloride
Molecular Structure:
Molecular Structure of 298-95-3 (Neotetrazolium chloride)
Formula: C38H28Cl2N8
Molecular Weight: 667.5885
Synonyms: 2H-Tetrazolium,3,3'-(4,4'-biphenylylene)bis[2,5-diphenyl-, dichloride (8CI);2H-Tetrazolium,3,3'-[1,1'-biphenyl]-4,4'-diylbis[2,5-diphenyl-, dichloride (9CI);3,3'-(4,4'-Biphenylylene)bis[2,5-diphenyl-2H-tetrazolium chloride] (6CI);2,2'-(p-Diphenylene)bis(3,5-diphenyl)ditetrazolium chloride;3,3'-(4,4'-Biphenylene)bis[2,5-diphenyltetrazolium chloride];NSC 27621;NTC;Neo-T;Neotetrazolium;Neotetrazolium blue;Neotetrazolium chloride;TP;
EINECS: 206-070-0
Density: 1.0962 (rough estimate)
Melting Point: 230 °C (dec.)(lit.)
Boiling Point: 754.15°C (rough estimate)
Solubility: methanol: 50 mg/mL, clear
Appearance: ochre-yellow to yellow-brown powder
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 24/25-36
PSA: 69.18000
LogP: 0.41040
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Specification

The Neotetrazolium chloride with its cas register number is 298-95-3. It also can be called as 3,3'-(4,4'-Biphenylene)bis(2,5-diphenyl-2H-tetrazolium chloride) and the Systematic name about this chemical is 3,3'-biphenyl-4,4'-diylbis(2,5-diphenyl-2H-tetrazol-3-ium) dichloride. It belongs to the following product categories, such as Tetrazolium Salts and Tetrazolium Salts & Formazans. This chemical is harmful if swallowed. When you are using it, wear suitable protective clothing and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[Cl-].n6[n+](c5ccc(c4ccc([n+]2nc(nn2c1ccccc1)c3ccccc3)cc4)cc5)n(nc6c7ccccc7)c8ccccc8
(2)InChI: InChI=1/C38H28N8.2ClH/c1-5-13-31(14-6-1)37-39-43(33-17-9-3-10-18-33)45(41-37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)46-42-38(32-15-7-2-8-16-32)40-44(46)34-19-11-4-12-20-34;;/h1-28H;2*1H/q+2;;/p-2
(3)InChIKey: WYFYSTBFFDOVJW-NUQVWONBAR
(4)Std. InChI: InChI=1S/C38H28N8.2ClH/c1-5-13-31(14-6-1)37-39-43(33-17-9-3-10-18-33)45(41-37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)46-42-38(32-15-7-2-8-16-32)40-44(46)34-19-11-4-12-20-34;;/h1-28H;2*1H/q+2;;/p-2
(5)Std. InChIKey: WYFYSTBFFDOVJW-UHFFFAOYSA-L