3-(phenylamino)-1-(phenylimino)urea

• ChemBase编号: 107308
• 分子式: C13H12N4O
• 平均质量: 240.26058
• 单一同位素质量: 240.10111102
• SMILES: O=C(NNc1ccccc1)/N=N/c1ccccc1
• Canonical SMILES: O=C(/N=N/c1ccccc1)NNc1ccccc1
• InChI: InChI=1S/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)
• InChIKey: ZFWAHZCOKGWUIT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(phenylamino)-1-(phenylimino)urea; (E)-3-(phenylamino)-1-(phenylimino)urea
• IUPAC传统名: 3-(phenylamino)-1-(phenylimino)urea; (E)-3-(phenylamino)-1-(phenylimino)urea
• 别名: 苯基富马酸; 二苯基咔唑酮; sym-DIPHENYLCARBAZONE; Diphenylcarbazone; Phenylazoformic acid 2-phenylhydrazide; Phenylazoformic acid 2-phenylhydrazide; Diphenylcarbazone

登记号

• CAS号: 538-62-5
• EC号: 208-698-0
• MDL号: MFCD00003024
• Beilstein号: 959475
• PubChem SID: 162093483; 24866503; 24859970; 24866502; 24847616
• PubChem CID: 10860

理论计算性质

• Acid pKa: 11.267068
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 3.3687773
• LogD (pH = 7.4): 3.3687258
• Log P: 3.368778
• 摩尔折射率: 71.4117 cm^3
• 极化性: 25.775026 Å^3
• 极化表面积: 65.85 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 119-123 °C(lit.); 119-123°C; 153-157 °C

安全信息

• RTECS编号: LQ9420000
• 德国WGK号: 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ~40% (HPLC); ~60%; ~60% diphenylcarbazide basis (HPLC); ≥95.0%; ≥95.0% (HPLC); 95%
• 适用性: passes test for Hg detection
• 燃烧残渣: ≤0.1% (as SO4)
• 简要说明: for metal titration
• 杂质: ≤1% diphenylcarbazide; insoluble in ethanol, in accordance
• 产品类型: for colorimetric analysis
• 品质说明: for spectrophotometric det. of Cd, Cr, Cu, Fe, Hg, Mo; for spectrophotometric det. of Cr, Hg; for spectrophotometric det. of Hg, Pb, Zn; for the detection of Cd, Cr, Cu, Fe, Hg, Mo
• 线性分子式: C6H5NHNHCON=NC6H5

详细说明

MP Biomedicals - 05203298

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 124532

Application
用于金属1和与芳基氯化汞反应的反应物的分析试剂。2,3
包装
50 g in glass bottle

Sigma Aldrich - 33153

Other Notes
分光光度法测定多种金属1,2

Sigma Aldrich - 42870

General description
请访问 滴定中心 了解更多信息。
Other Notes
分光光度法检测多种金属1,2

Sigma Aldrich - 42871

Other Notes
分光光度法测定多种金属的试剂1