3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-3H-1,2λ5,3,4-tetrazol-2-ylium chloride

• ChemBase ID: 102537
• Molecular Formular: C19H13ClIN5O2
• Molecular Mass: 505.69629
• Monoisotopic Mass: 504.98025036
• SMILES: [Cl-].[O-][N+](=O)c1ccc(cc1)[n+]1nc(nn1c1ccc(I)cc1)c1ccccc1
• Canonical SMILES: Ic1ccc(cc1)n1nc(n[n+]1c1ccc(cc1)[N+](=O)[O-])c1ccccc1.[Cl-]
• InChI: InChI=1S/C19H13IN5O2.ClH/c20-15-6-8-16(9-7-15)23-21-19(14-4-2-1-3-5-14)22-24(23)17-10-12-18(13-11-17)25(26)27;/h1-13H;1H/q+1;/p-1
• InChIKey: JORABGDXCIBAFL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-3H-1,2λ^5,3,4-tetrazol-2-ylium chloride; 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-3H-1,2$l^{5},3,4-tetrazol-2-ylium chloride
• IUPAC Traditional name: 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1,2λ^5,3,4-tetrazol-2-ylium chloride; 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1,2$l^{5},3,4-tetrazol-2-ylium chloride
• Synonyms: 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium chloride; 2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazolium chloride; p-Iodonitrotetrazolium Violet; INT; 2-(p-Iodophenyl)-3-(p-nitrophenyl)-5-phenyltetra-zolium chloride; Iodonitrotetrazolium chloride; p-IODONITROTETRAZOLIUM VIOLET; Iodonitrotetrazolium chloride; 2-(4-碘苯基)-3-(4-硝基苯基)-5-苯基氯化四唑氯水合物; 对碘硝基四唑紫; 碘硝基氯化四氮唑

Database IDs

• CAS Number: 146-68-9
• EC Number: 205-676-2
• MDL Number: MFCD00011961
• Beilstein Number: 4093224
• PubChem SID: 24895918; 24881028; 162088973; 24896138
• PubChem CID: 64957

CALCULATED PROPERTIES

• Acid pKa: 18.751219
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6344259
• LogD (pH = 7.4): 3.6344259
• Log P: 3.6344259
• Molar Refractivity: 144.9902 cm^3
• Polarizability: 43.273354 Å^3
• Polar Surface Area: 80.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: methanol: water (1:1): soluble50 mg/mL, very faintly turbid, very deep yellow (hot)
• Melting Point: ~245 °C (dec.); 240 °C (dec.)(lit.); 245-251°C

Safety Information

• Storage Condition: 2-8°C, Desiccate, Protect from light
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-68/20/21/22
• Safety Statements: 36/37
• GHS Pictograms: GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H371
• GHS Precautionary statements: P260
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (calc. on dry substance, NT); 95%; 99%
• Salt Data: Cl-
• Impurities: <5% methyl alcohol
• Product Line: BioReagent
• Empirical Formula (Hill Notation): C19H13ClIN5O2

DETAILS

MP Biomedicals - 02102066

3X Crystallized
Purity: 99%
Used in the determination of dehydrogenases.

Sigma Aldrich - 58030

Application
Electron acceptor for the colorimetric assay of various dehydrogenases

Sigma Aldrich - I10406

Application
Electron acceptor for the colorimetric assay of various dehydrogenases
Used for dehydrogenase determination.1
Packaging
1 g in poly bottle
5 g in glass bottle
25 g in poly bottle

Sigma Aldrich - I8377

Frequently Asked Questions
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Application
多种脱氢酶比色分析中的电子受体