4,4-二苯氨基脲 | 603-51-0

• 物质功能分类: 化学试剂 - 有机试剂 - 脲
• 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: 4,4-二苯氨基脲
• 中文别名: 4,4-二苯基氨脲
• 英文名称: N,N-diphenyl semicarbazide
• 英文别名: 4,4-diphenylsemicarbazide；4,4-diphenyl semicarbazide；4,4-Diphenyl-semicarbazid；N,N-diphenyl-hydrazinecarboxamide；4,4-Diphenyl-semicarbazol；4,4-Diphenylsemicarbazid；3-amino-1,1-diphenylurea
• CAS: 603-51-0
• 化学式: C₁₃H₁₃N₃O
• mdl: MFCD00007592
• 分子量: 227.266
• InChiKey: VVVFQQJJJRFDTE-UHFFFAOYSA-N

物化性质

• 熔点：
  151-152 °C(lit.)
• 沸点：
  368.98°C (rough estimate)
• 密度：
  1.1267 (rough estimate)
• 稳定性/保质期：
  在常温常压下，该物质是稳定的。

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.4
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2928000090
• 储存条件：
  本品应密封避光保存。

SDS

Name:	4 4-Diphenylsemicarbazide 98% Material Safety Data Sheet
Synonym:
CAS:	603-51-0

Section 1 - Chemical Product MSDS Name:4 4-Diphenylsemicarbazide 98% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
603-51-0	4,4-Diphenylsemicarbazide	98	210-046-5

Hazard Symbols: XN
Risk Phrases: 22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Dust may cause mechanical irritation.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
Inhalation of dust may cause respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 603-51-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 151.00 - 152.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H13N3O
Molecular Weight: 227.27

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 603-51-0 unlisted.
LD50/LC50:
Not available.
Oral, rat: LD50 = 800 Carcinogenicity:
4,4-Diphenylsemicarbazide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 603-51-0: No information available.
Canada
CAS# 603-51-0 is listed on Canada's NDSL List.
CAS# 603-51-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 603-51-0 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法：能还原斐林氏（Fehling’s）溶液，进行羰基化合物的特性鉴定。有机合成。

用途简介： 暂无内容

用途：能还原斐林氏（Fehling’s）溶液，鉴定羰基化合物的特性。用于有机合成。

反应信息

• 作为反应物：
  描述：

  4,4-二苯氨基脲 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 5.5h， 生成 [ReBr(CO)₃(H₂Ph₂)]
  参考文献：
  名称：

  水杨醛半咔唑nes三羰基hen（I）配合物的合成，晶体结构和细胞毒性

  摘要：

  合成并表征了一系列N，N-二取代水杨醛半咔唑（SSC）HOC 6 H 4 CH N-NHCONR 2及其their（I）三羰基配合物[ReBr（CO）3（SSC）]。红外和1 H NMR光谱。配合物[ReBr（CO）3（H 2 Bu 2）]（H 2 Bu 2  ＝ SSC，其中R ＝ Bu n）的晶体学分析表明，SSC通过其亚氨基氮和羰基氧原子充当二齿配体。[ReBr（CO）3（SSC）]复合物对MOLT-4细胞具有中等至高的细胞毒性（IC 50  = 1–24μM，顺铂为18μM），并且大多数对非癌性人类成纤维细胞无毒。[ReBr（CO）3（H 2 Bnz 2）]（Bnz =苄基）的凋亡分析表明，它通过凋亡介导MOLT-4细胞的细胞毒性。配合物[ReBr（CO）3（H 2 Bnz 2）]通过从苯酚OH基团转移到鸟嘌呤N（7）的质子与鸟嘌呤反应。在（CD 3）2 SO中，[ReBr（CO）3（H

  DOI：

  10.1016/j.jinorgbio.2012.10.011
• 作为产物：
  描述：

  1,1-二苯基脲 在 一水合肼 作用下， 生成 4,4-二苯氨基脲
  参考文献：
  名称：

  Art As Religious Commitment: Kafka’s Debt to Kierkegaardian Ideas and their Impact on his Late Stories

  摘要：

  Although Kafka’s reception of Kierkegaardian ideas has received much critical attention the critics have so far paid little heed to similarities between Kierke‐gaard’s religious and Kafka’s aesthetic views. My intention in the following is to show that in spite of Kafka’s critical remarks on his philosophy, Kierkegaard’s definition of a religious person influenced his description of the artist’s existence in Erstes Leid (1922), Ein Hungerkünstler (1922) and Josefine, die Sängerin oder das Volk der Mäuse (1924). In these stories Kafka turns Kierkegaard’s ideas about spiritual inwardness and passionate attitude towards religious life into artistic inwardness and passionate attitude towards art. He also describes how devotion that these artists feel towards their art leads to their solitude and how their lives reflect suffering, doubt and despair which is similar to Kierkegaard’s description of religious suffering. Kafka’s critical remarks on Kierkegaard’s philosophy should therefore be understood as a clear rejection of Kierkegaard’s Protestant theology, although these same ideas gave him inspiration to formulate his views on the artist’s existence.

  DOI：

  10.1111/1468-0483.00182

文献信息

• RECORDING MATERIAL PRODUCED USING NON-PHENOL COMPOUND
  申请人：NIPPON SODA CO., LTD.

  公开号：US20150284321A1

  公开（公告）日：2015-10-08

  An object of the present invention is to provide a recording material or a recording sheet using, as a color-developing agent, a non-phenol compound that is a safe compound in no danger of corresponding to an endocrine disruptor and is good in color developing performance. The non-phenol compound used in the present invention is at least one selected from the group consisting of compounds represented by the following formulas (I) to (III).

  本发明的目的是提供一种使用非酚类化合物作为显色剂的记录材料或记录纸，该非酚类化合物是一种安全化合物，不会对应到内分泌干扰物，并且在显色性能方面表现良好。本发明中使用的非酚类化合物至少选自以下化合物所代表的化合物组，其化学式为(I)至(III)。
• Facile one-pot synthesis of 4-substituted semicarbazides
  作者：Andrey V. Bogolubsky、Yurii S. Moroz、Pavel K. Mykhailiuk、Yurii V. Dmytriv、Sergey E. Pipko、Liudmyla N. Babichenko、Anzhelika I. Konovets、Andrey Tolmachev

  DOI：10.1039/c4ra12425a

  日期：——

  and disubstituted semicarbazides was prepared in a one-pot two-step approach. The method includes formation of a carbamate from bis(2,2,2-trifluoroethyl)carbonate or 2,2,2-trifluoroethylchloroformate and a primary or secondary amine and subsequent interaction of the carbamate with hydrazine to result in a semicarbazide. The approach allowed to obtain 4-substituted semicarbazides on a large scale in

  用一锅两步法制备了25种4-一元和二取代的氨基脲的多样化文库。该方法包括由碳酸双（2,2,2-三氟乙基）酯或氯甲酸2,2,2-三氟乙基酯与伯胺或仲胺形成氨基甲酸酯，以及随后使氨基甲酸酯与肼相互作用以生成氨基脲。该方法允许以高收率和高纯度大规模获得4-取代的氨基脲。
• [EN] DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE DIAMINE CYCLIQUE DE DIARYLAKLYLE UTILISES EN TANT QU'ANTAGONISTES DES RECEPTEURS DE CHIMIOKINES
  申请人：TEIJIN LIMITED

  公开号：WO1997044329A1

  公开（公告）日：1997-11-27

  (EN) Cyclic diamines of formula (I) or their pharmacologically acceptable acid addition salts, and their medical applications are described. These compounds inhibit the action of chemokines such as MIP-la and/or MCP-l on target cells, and are useful as a therapeutic drug and/or preventative drug in diseases, such as atherosclerosis, rheumatoid arthritis, and the like where blood monocytes and lymphocytes infiltrate into tissues.(FR) Diamines cycliques de formule (I) ou leur sels d'addition d'acide pharmaceutiquement acceptables ainsi que leurs applications médicales. Ces composés inhibent l'action de chimiokines telles que MIP-1a et/ou MCP-1 sur des cellules cibles, et sont utiles en tant que médicaments thérapeutiques et/ou préventifs dans les maladies telles que l'athérosclérose, l'arthrite rhumatoïde et similaire dans lesquelles les monocytes et les lymphocytes s'infiltrent dans les tissus.

  (I)式的环状二胺或其药学上可接受的酸盐加合物以及它们的医学应用被描述。这些化合物抑制化学趋化因子如MIP-1a和/或MCP-1在目标细胞上的作用，并且可作为治疗药物和/或预防药物在疾病中使用，例如动脉粥样硬化、类风湿性关节炎等，这些疾病中血液单核细胞和淋巴细胞渗入组织。
• Fused benzeneoxyacetic acid derivatives
  申请人：Ono Pharmaceutical Co., Ltd.

  公开号：US05596009A1

  公开（公告）日：1997-01-21

  A fused benzeneoxyacetic acid derivative of the formula (I): ##STR1## A is --COW, --NR.sup.4 --Y or --Z--NR.sup.4 --CONR.sup.2 R.sup.3 ; and salts thereof possess an agonistic on PGI.sub.2 receptor, so it is useful for prevention and/or treatment of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer and hypertention.

  化合物的名称为融合苯氧基乙酸衍生物，化学式为(I)：##STR1## 其中A为--COW，--NR.sup.4 --Y或--Z--NR.sup.4 --CONR.sup.2 R.sup.3；其盐具有PGI.sub.2受体的激动作用，因此该化合物可用于预防和/或治疗血栓形成、动脉硬化、缺血性心脏病、胃溃疡和高血压。
• Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0542203A2

  公开（公告）日：1993-05-19

  A fused benzeneoxyacetic acid derivative of the formula (I): (wherein or A is -COW, -NR4-Y or -Z-NR4 CONR2R3; W is -NR2R3, -NR4-OR5, -NR4-NR2R3 or -NR4-N=CR2R3; Y is -CO-R5, -CO-U-NR2R3 or -CS-U-NR2R3; Z is -CH=N- or -CH2-NR6-; R1 is H or alkyl; R2 or R3 is H, (benzoyl)phenyl or R5; R5 is phenyl, hetero ring containing N atom or alkyl substituted by hetero ring containing one N atom or phenyl; R4 or R6 is H, alkyl or (substituent)phenyl; U is bond or alkylene; e is 3-5; f is 1-3; p or r is 0-4; q is 0-2; s is 0-3) and salts thereof possess an agonistic on PGl2 receptor, so it is useful for prevention and/or treatment of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer and hypertention.

  式 (I) 的融合苯氧乙酸衍生物： 其中 或 A 是-COW、-NR4-Y 或-Z-NR4 CONR2R3； W 是-NR2R3、-NR4-OR5、-NR4-NR2R3 或 -NR4-N=CR2R3 Y 是-CO-R5、-CO-U-NR2R3 或-CS-U-NR2R3； Z是-CH=N-或-CH2-NR6-； R1 是 H 或烷基； R2 或 R3 是 H、（苯甲酰基）苯基或 R5； R5 是苯基、含 N 原子的杂环或被含一个 N 原子的杂环或苯基取代的烷基； R4 或 R6 是 H、烷基或（取代基）苯基； U 是键或亚烷基； e 是 3-5； f 为 1-3； p 或 r 是 0-4； q 为 0-2； s 为 0-3) 及其盐类对 PGl2 受体具有激动作用，因此可用于预防和/或治疗血栓形成、动脉硬化、缺血性心脏病、胃溃疡和高血压。

表征谱图