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

• ChemBase编号: 102537
• 分子式: C19H13ClIN5O2
• 平均质量: 505.69629
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 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$l^{5},3,4-tetrazol-2-ylium chloride
• IUPAC传统名: 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1,2λ^5,3,4-tetrazol-2-ylium chloride; 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1,2$l^{5},3,4-tetrazol-2-ylium chloride
• 别名: 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; 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

登记号

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

理论计算性质

• Acid pKa: 18.751219
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.6344259
• LogD (pH = 7.4): 3.6344259
• Log P: 3.6344259
• 摩尔折射率: 144.9902 cm^3
• 极化性: 43.273354 Å^3
• 极化表面积: 80.41 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

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

安全信息

• 保存条件: 2-8°C, Desiccate, Protect from light
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/21/22-68/20/21/22
• 安全公开号: 36/37
• GHS危险品标识: GHS08
• GHS警示词: Warning
• GHS危险声明: H371
• GHS警示性声明: P260
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (calc. on dry substance, NT); 95%; 99%
• 成盐信息: Cl-
• 杂质: <5% methyl alcohol
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C19H13ClIN5O2

详细说明

MP Biomedicals - 02102066

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

Sigma Aldrich - 58030

Application
多种脱氢酶比色分析中的电子受体

Sigma Aldrich - I10406

Application
多种脱氢酶比色分析中的电子受体
用于脱氢酶测定。1
包装
1 g in poly bottle
5 g in glass bottle
25 g in poly bottle

Sigma Aldrich - I8377

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
多种脱氢酶比色分析中的电子受体