3-(phenylamino)-1-(phenylimino)thiourea

• ChemBase编号: 89268
• 分子式: C13H12N4S
• 平均质量: 256.32618
• 单一同位素质量: 256.0782674
• SMILES: N(c1ccccc1)NC(=S)/N=N/c1ccccc1
• Canonical SMILES: S=C(/N=N/c1ccccc1)NNc1ccccc1
• InChI: InChI=1S/C13H12N4S/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: UOFGSWVZMUXXIY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(phenylamino)-1-(phenylimino)thiourea; 1-(phenylamino)-3-(phenylimino)thiourea; (E)-1-(phenylamino)-3-(phenylimino)thiourea; (E)-3-(phenylamino)-1-(phenylimino)thiourea
• IUPAC传统名: 3-(phenylamino)-1-(phenylimino)thiourea; 1-(phenylamino)-3-(phenylimino)thiourea; (E)-1-(phenylamino)-3-(phenylimino)thiourea; dithizone
• 别名: 硫代卡巴腙; 硫代卡巴腙, ACS; 二苯基硫卡巴腙; 双硫腙; Dithizone, ACS; Diphenylthiocarbazone; Dithizone; N',2-Diphenyldiazenecarbothiohydrazide 98+%; 1,5-Diphenylthiocarbazone; DIPHENYLTHIOCARBAZONE, REAGENT GRADE; Phenyldiazenecarbothioic acid 2-phenylhydrazide; (Phenylazo) thioformic acid 2-phenylhydrazide; DITHIZONE; Dithizone

登记号

• CAS号: 60-10-6
• EC号: 200-454-1
• MDL号: MFCD00003025
• Beilstein号: 748838
• 默克索引号: 143377
• PubChem SID: 24851336; 24859972; 24893923; 162076149; 24867433
• PubChem CID: 657262
• Chemspider ID: 571406
• 维基百科标题: Dithizone

理论计算性质

• Acid pKa: 11.184186
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 4.2586465
• LogD (pH = 7.4): 4.2585845
• Log P: 4.2586474
• 摩尔折射率: 79.4026 cm^3
• 极化性: 29.180603 Å^3
• 极化表面积: 48.78 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

• 外观: Crystalline
• 熔点: 168; 168 °C (dec.)(lit.); 168°C; 168(dec.)°C; 168°C dec.; ca 168°C dec.

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Harmful/Irritant
• RTECS编号: LQ9450000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; R:36/37/38
• 安全公开号: 26-36; 26-37; 26-37-60; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280G-P305+P351+P338; P280G-P305+P351+P338-P332+P313
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥85%; ≥85.0%; ≥98% (chelatometric); ≥99.0% (CHN); 85+%; 98%
• 级别: ACS reagent; JIS special grade; puriss. p.a.; Reag. Ph. Eur.; REAGENT
• 适用性: passes test for sensitivity to heavy metals
• 燃烧残渣: ≤0.2% (as SO4); ≤0.3%
• 杂质: ≤0.001% heavy metals (as Pb)
• 痕量阳离子: heavy metals: ≤0.002%
• 品质说明: for spectrophotometric det. of Cd, Cu, Hg, Pb, Zn
• abs.: absorption/605 nm ≥1450
• Absorbance ratio: A ≥1.55
• 线性分子式: C6H5NHNHCSN=NC6H5

详细说明

Sigma Aldrich - 43820

Other Notes
用于提取和分离重金属的试剂1,2；用于提取和通过火焰原子吸收光谱法测定金属的试剂3,4，用于重金属的分光光度法检测的试剂5,6

Sigma Aldrich - 194832

Application
金属指示剂。1
包装
10, 50 g in glass bottle

Sigma Aldrich - D5130

Application
本品在重金属的定量测定中可用作滴定剂。

参考文献

• Reagent for extraction of metals. Indicator for metals: Anal. Chim. Acta, 57, 393 (1971).