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| Name |
Neotetrazolium chloride |
EINECS | 206-070-0 |
| CAS No. | 298-95-3 | Density | 1.0962 (rough estimate) |
| PSA | 69.18000 | LogP | 0.41040 |
| Solubility | methanol: 50 mg/mL, clear | Melting Point |
230 °C (dec.)(lit.) |
| Formula | C38H28Cl2N8 | Boiling Point | 754.15°C (rough estimate) |
| Molecular Weight | 667.5885 | Flash Point | N/A |
| Transport Information | N/A | Appearance | ochre-yellow to yellow-brown powder |
| Safety | 24/25-36 | Risk Codes | 22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| 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; |
Neotetrazolium chloride 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
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