二苯基硫代卡巴肼 | 622-03-7

• 物质功能分类: 有机原料 - 肼或胲的有机衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 二苯基硫代卡巴肼
• 中文别名: 二苯基硫代羰二肼；二苯基硫卡巴肼；二苯氨基硫脲；二苯胺基代硫脲；二苯氨基代硫脲；二苯硫代碳酰二肼；二苯基硫代碳二肼
• 英文名称: diphenyl thiocarbazide
• 英文别名: 1,5-diphenylthiocarbonohydrazide；Diphenylthiocarbazid；Diphenylthiocarbazide；1,3-dianilinothiourea
• CAS: 622-03-7
• 化学式: C₁₃H₁₄N₄S
• mdl: MFCD00046042
• 分子量: 258.347
• InChiKey: BNSNUHPJRKTRNT-UHFFFAOYSA-N

物化性质

• 熔点：
  155°C
• 沸点：
  181°C (rough estimate)
• 密度：
  1.2302 (rough estimate)
• 溶解度：
  略溶。在乙醇中

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.2
• 氢给体数：
  4
• 氢受体数：
  3

安全信息

• 安全说明：
  S22,S36/37/39
• 危险类别码：
  R22,R36/37/38
• RTECS号：
  FF2800000
• 海关编码：
  2930909090
• 储存条件：
  存储条件为0-10°C，应存放在惰性气体中，并避免光照、空气以及加热。

SDS

---

Section I.Chemical Product and Company Identification
Chemical Name Diphenylthiocarbazide
Portland OR
Synonym Carbonothioic Dihydrazide, 2,2'-diphenyl- (9 CI)
Chemical Formula C6H5NHNHCSNHNHC6H5
CAS Number 622-03-7

---

Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
Diphenylthiocarbazide 622-03-7 ---------- Not available. Rat LD50 (oral) 1500mg/kg
Mouse LD50 (intraperitoneal)
200mg/kg

---

Section III. Hazards Identification
Acute Health Effects Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
or, occasionally, blistering.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

---

Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Get medical attention.
Skin Contact In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
Inhalation If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
Ingestion INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
toxic material was ingested; the absence of such signs, however, is not conclusive.

---

Section V. Fire and Explosion Data
Auto-Ignition Not available.
Flammability May be combustible at high temperature.
Flash Points Flammable Limits Not available.
Not available.
Combustion Products These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2), sulfur oxides (SO2, SO3...).
Fire Hazards
Not available.
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media
SMALL FIRE: Use DRY chemical powder.
and Instructions LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
Diphenylthiocarbazide

---

Section VI. Accidental Release Measures
Spill Cleanup Harmful material. Irritating material.
Instructions Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
disposal.

---

Section VII. Handling and Storage
Handling and Storage HARMFUL. IRRITANT. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container
and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust.
Information
Always store away from incompatible compounds such as oxidizing agents.

---

Section VIII. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult
a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure Limits Not available.

---

Section IX. Physical and Chemical Properties
Solubility
Physical state @ 20°C Solid. (White crystalline powder.) Not available.
Not available.
Specific Gravity
Molecular Weight 258.34 Partition Coefficient Not available.
Boiling Point Not available. Vapor Pressure Not applicable.
Melting Point 155°C (311°F) Vapor Density Not available.
Not available. Volatility Not available.
Refractive Index
Critical Temperature Odor Not available.
Not available.
Not available. Not available.
Viscosity Taste

---

Section X. Stability and Reactivity Data

---

This material is stable if stored under proper conditions. (See Section VII for instructions)
Stability
Conditions of Instability
Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.

---

Section XI. Toxicological Information
RTECS Number FF2800000
Routes of Exposure Eye Contact. Ingestion. Inhalation.
Rat LD50 (oral) 1500mg/kg
Toxicity Data
Mouse LD50 (intraperitoneal) 200mg/kg
Chronic Toxic Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Acute Toxic Effects Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
or, occasionally, blistering.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Continued on Next Page
Diphenylthiocarbazide

---

Section XII. Ecological Information
Ecotoxicity Not available.
Environmental Fate Not available.

---

Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
Waste Disposal
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

---

Section XIV. Transport Information
DOT Classification Not a DOT controlled material (United States).
PIN Number Not applicable.
Proper Shipping Name
Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

---

Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.
(EPA)
WHMIS Classification
On NDSL.
(Canada)
EINECS Number (EEC) 210-717-2
EEC Risk Statements R20/21/22- Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38- Irritating to eyes, respiratory system and skin.
Japanese Regulatory Data

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

二苯基硫代卡巴肼是肼类衍生物，可用作医药合成中间体。

化学性质 这是一种暗红色结晶性粉末，熔点在156-158℃（分解）。它溶于碱而分解，微溶于冷乙醇和苯。加热或熔融时会变绿色。

用途 该化合物可用于检定铋、镉、钴、铜、铅、银、镍、镁和汞。

生产方法 通过让苯肼与二硫化碳反应生成苯肼二硫代甲酸苯肼盐，然后加热并释放硫化氢和氨，最终转化为二苯基硫代卡巴肼，产率约为60-75%。

反应信息

• 作为反应物：
  描述：

  二苯基硫代卡巴肼 在 盐酸 、 sodium hydroxide 、 potassium carbonate 、 锌 作用下， 生成 2-氨基苯并噻唑
  参考文献：
  名称：

  Fischer,E.; Besthorn, Justus Liebigs Annalen der Chemie, 1882, vol. 212, p. 321

  摘要：

  DOI：
• 作为产物：
  描述：

  1,5-Diphenyl-3-chlor-formazan 在 sodium hydrogensulfide 、 乙醇 作用下， 生成 二苯基硫代卡巴肼
  参考文献：
  名称：

  Fusco; Romani, Gazzetta Chimica Italiana, 1946, vol. 76, p. 419,435

  摘要：

  DOI：

文献信息

• A Novel Method for the Synthesis of Disubstituted Ureas and Thioureas Under Microwave Irradiaton
  作者：Mohammad M. Mojtahedi、Mohammad R. Saidi、Mohammad Bolourtchian

  DOI：10.1039/a906441i

  日期：——

  Several symmetrically disubstituted ureas and thioureas are synthesized by heating of urea or thiourea with aromatic amines or phenylhydrazine under environmentally benign conditions without any solvent in a conventional microwave oven.

  在常规微波炉中，在环境友好的条件下，在无溶剂的条件下，通过将脲或硫脲与芳族胺或苯肼加热，可以合成几种对称的双取代脲和硫脲。
• Green Process Development for the Synthesis of Aliphatic Symmetrical <i>N,N′</i>-Disubstituted Thiourea Derivatives in Aqueous Medium
  作者：Asha D. Jangale、Priyanka P. Kumavat、Yogesh B. Wagh、Yogesh A. Tayade、Pramod P. Mahulikar、Dipak S. Dalal

  DOI：10.1080/00397911.2014.960939

  日期：2015.1.17

  Abstract A highly efficient green process for the synthesis of N,N′-disubstituted aliphatic thiourea derivatives using primary aliphatic amines and carbon disulfide in aqueous medium at room temperature via a nonisothiocyanate route is described. This protocol illustrates the rapid preparation of N,N′-disubstituted aliphatic thiourea derivatives in excellent yields with some advantages such as no catalyst

  摘要 描述了一种在室温下，在水性介质中，通过非异硫氰酸酯路线，使用脂肪伯胺和二硫化碳合成 N,N'-二取代脂肪族硫脲衍生物的高效绿色工艺。该协议说明了以优异的收率快速制备 N,N'-二取代脂肪族硫脲衍生物, 具有一些优点, 如无催化剂和简单的后处理, 没有任何副产物形成。此外，新路线简洁，无需色谱，适用于中试制备。图形概要
• Synthesis and characterization of a series of cobalt complexes: Investigation of their efficacy as sensitizers in dye-sensitized solar cell applications
  作者：Vindhya Hegde、C.O. Sreekala、Naveen V. Kulkarni、Dineshchakravarthy Senthurpandi、Jomon Mathew

  DOI：10.1016/j.molstruc.2022.133512

  日期：2022.10

  using Tauc plot. Utility of the prepared cobalt (II/III) complexes as sensitizers in the dye-sensitized solar cell was investigated. I–V parameters of the fabricated solar cells were noted and compared with the cell made using standard N719 dye. Among the twenty-one complexes investigated, complex C4, comprising of bis(pyrazolyl)methane ligands exhibited highest power conversion efficiency.

  通过使用各种配体系统制备了一系列具有不同结构和电子特性的钴（II）配合物。所有配合物都通过光谱和分析技术进行了彻底的表征，包括 X 射线晶体学，分子结构通过 DFT 研究（M06 和 B3LYP 方法）进行了优化。将理论 HOMO-LUMO 能隙与使用 Tauc 图计算的光学带隙能量进行比较。研究了制备的钴 (II/III) 配合物在染料敏化太阳能电池中作为敏化剂的用途。记录了制造的太阳能电池的 I-V 参数，并与使用标准 N719 染料制造的电池进行了比较。在所研究的 21 个配合物中，配合物C4，由双（吡唑基）甲烷配体组成，表现出最高的功率转换效率。
• ANTICORROSIVE COATING COMPOSITIONS
  申请人：Dai Nippon Toryo Co., Ltd.

  公开号：EP1818379A1

  公开（公告）日：2007-08-15

  It is an object of the present invention to provide an anticorrosive coating composition which uses a pollution-free (heavy metal-free) rust preventive pigment and exhibits anticorrosive performances equal or superior to those of lead compounds or chromic acid compounds even if the pigment is blended in various binder resins and also to provide an anticorrosive coating composition having excellent storage stability. The present invention relates to an anticorrosive coating composition comprising a binder resin and a pollution-free (heavy metal-free) rust preventive pigment containing a condensed calcium phosphate produced by baking a single substance or mixture of a calcium component and a phosphorous component in the following atomic ratio (Ca/P = m): 0.50 < m < 1.00, at 180 to 350°C.

  本发明的目的是提供一种防腐涂料组合物，该防腐涂料组合物使用无污染（无重金属）防锈颜料，即使将该颜料掺入各种粘合剂树脂中，其防腐性能也与铅化合物或铬酸化合物的防腐性能相同或更优，同时还提供一种具有优异贮存稳定性的防腐涂料组合物。本发明涉及一种防腐涂料组合物，它包含一种粘结树脂和一种无污染（无重金属）防锈颜料，该防锈颜料含有一种缩合磷酸钙，该磷酸钙是由钙组分和磷组分按以下原子比（Ca/P = m）焙烧而成的单一物质或混合物：0.50 < m < 1.00，温度为 180 至 350°C。
• Fischer,E., Justus Liebigs Annalen der Chemie, 1878, vol. 190, p. 136
  作者：Fischer,E.

  DOI：——

  日期：——

表征谱图