Alpha-苄基苯基肼 | 614-31-3

• 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: Alpha-苄基苯基肼
• 中文别名: Α-苄基苯基肼；1-苄基-1-苯基肼；α-苄基苯基肼
• 英文名称: N-benzyl-N-phenylhydrazine
• 英文别名: N-Benzyl-N-phenylhydrazin；1-benzyl-1-phenylhydrazine
• CAS: 614-31-3
• 化学式: C₁₃H₁₄N₂
• mdl: MFCD00059186
• 分子量: 198.268
• InChiKey: SQMOOVFBFVTTGF-UHFFFAOYSA-N

物化性质

• 熔点：
  164-166℃
• 沸点：
  218 °C / 38mmHg
• 密度：
  1,1 g/cm3
• 闪点：
  186℃
• 稳定性/保质期：
  性质与稳定性：在常温常压下，该物质不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22
• 海关编码：
  2928000090
• 储存条件：
  贮存： 将密封的药瓶放入密封的主要容器中，并将其放置在阴凉、干燥的地方。

SDS

1-Benzyl-1-phenylhydrazine Revision number: 1
SAFETY DATA SHEET

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Section 1. BASE INFORMATION
Product name: 1-Benzyl-1-phenylhydrazine

Revision number: 1

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Section 2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Category 2
Skin corrosion/irritation
Serious eye damage/eye irritation Category 2A
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements
Pictograms or hazard symbols
Signal word Warning
Hazard statement Causes skin irritation
Causes serious eye irritation
Precautionary statements
[Prevention] Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response] IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Component(s): 1-Benzyl-1-phenylhydrazine
Percent: >98.0%(T)
CAS Number: 614-31-3
Chemical Formula: C13H14N2

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
1-Benzyl-1-phenylhydrazine

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Section 4. FIRST AID MEASURES
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Specific hazards: Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
Specific methods: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

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Section 7. HANDLING AND STORAGE
Handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapor or mist. Wash hands and face thoroughly after handling.
Use a ventilation, local exhaust if vapor or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Storage
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Law is followed.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Liquid
Physical state (20°C):
Form: clear
Color: Pale yellow - Reddish yellow
Odor: No data available
pH: No data available
Melting point/freezing point:No data available
1-Benzyl-1-phenylhydrazine

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Boiling Point/Range: 218 °C/5.1kPa
Flash Point: No data available
Explosive limits
No data available
Lower:
Upper: No data available
1.10
Density:
Solubility: No data available

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Section 10. STABILITY AND REACTIVITY
Stability: Stable under proper conditions.
Reactivity: No special reactivity has been reported.
Conditions to avoid: Light-sensitive
Incompartible materials: oxidizing agents
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
Products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
No data available
NTP =
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobillity in soil
log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. Observe all federal, state and local
regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not Listed

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.
1-Benzyl-1-phenylhydrazine

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  Alpha-苄基苯基肼 在 titanium(III) chloride 、 水 作用下， 以 四氢呋喃 为溶剂， 以80%的产率得到苯甲基苯胺
  参考文献：
  名称：

  三氯化 钛（iii）的水溶液将肼还原为胺†

  摘要：

  肼中N–N键的裂解被广泛用于胺的制备中，因此在有机合成中占有重要地位。在本文中，我们报告了一种新的方法，该方法可通过市售廉价的水溶液还原肼中的N–N键三氯化钛。反应可在从酸性到中性和碱性的宽pH范围内顺利进行，从而以良好的收率得到胺。此方法与包含官能团的底物兼容，例如，CC双键，苄基-氮键，苄氧基和酰基。

  DOI：

  10.1039/c1ob05328k
• 作为产物：
  描述：

  苯甲基苯胺 在 sodium hydroxide 、 sodium hypochlorite 、 三氟乙酸 作用下， 以 乙醇 、 苯 为溶剂， 反应 8.0h， 生成 Alpha-苄基苯基肼
  参考文献：
  名称：

  An efficient synthesis of 1,1-disubstituted hydrazines.

  摘要：

  通过Hofmann重排反应，从相应的1,1-二取代脲制备了1,1-二取代肼。除易被氧化脲外，产率相当好，因此本方法为1,1-二取代肼的合成提供了一种额外且高效的途径。

  DOI：

  10.1248/cpb.31.423

文献信息

• Formation of Enehydrazine Intermediates through Coupling of Phenylhydrazines with Vinyl Halides: Entry into the Fischer Indole Synthesis
  作者：Fuxu Zhan、Guangxin Liang

  DOI：10.1002/anie.201207173

  日期：2013.1.21

  Cut to the chase: Direct formation of an enehydrazine, an intermediate in the classic Fischer indole synthesis, solves the regioselectivity problem associated with indolization. This approach not only achieves selective synthesis of indoles through proper selection of the vinyl halide, but also leads to quick construction of desoxyeseroline and esermethole, as well as the key structural motif in the

  追逐目标：直接形成烯肼（Fischer吲哚经典合成中的中间体）可解决与吲哚化有关的区域选择性问题。这种方法不仅通过卤乙烯的适当选择实现吲哚的选择性合成，而且导致快速施工desoxyeseroline和esermethole的，以及在关键结构基序Akuammiline生物碱vincorine。
• Reductive Hydrazination with Trichlorosilane: A Method for the Preparation of 1,1-Disubstituted Hydrazines
  作者：Tao Wang、Xiao Di、Chao Wang、Li Zhou、Jian Sun

  DOI：10.1021/acs.orglett.6b00675

  日期：2016.4.15

  and facile method has been developed to prepare 1,1-disubstituted hydrazines via Lewis base promoted direct reductive hydrazination. Under the catalysis of hexamethylphosphoramide (HMPA) and N,N-dimethylacetamide (DMAc), respectively, various ketones and aldehydes could react with phenylhdrazines to prepare 1,1-disubstituted hydrazines with good to high yields.

  已经开发了一种简单易行的方法，以通过路易斯碱促进的直接还原酰肼化来制备1,1-二取代的肼。分别在六甲基磷酰胺（HMPA）和N，N-二甲基乙酰胺（DMAc）的催化下，各种酮和醛可以与苯基乙嗪反应制备1,1-二取代肼，产率高至高。
• Synthesis and characterization of new ferrocenyl bishydrazones
  作者：Nardjes Mouas Toma、Hocine Merazig、Jean-Claude Daran、Éric Manoury

  DOI：10.1016/j.crci.2015.06.002

  日期：2015.8

  Résumé New ferrocenyl bishydrazones (2a–2d) have been efficiently obtained from 1,1′-ferrocenedicarboxaldehyde by a straightforward synthesis. The four new compounds have been fully characterized by NMR (1H, 13C), high-resolution mass spectroscopy, and the molecular structure of compounds (2a–2d) has been elucidated by X-ray diffraction on single crystals.

  简历 新型的双酰腙类配合物（2a–2d）通过一种直接的合成方法高效地从1,1′-二甲醛铁酚中获得。这四种新化合物通过核磁共振（1H、13C）、高分辨质谱以及单晶X射线衍射确定了其分子结构，得到了全面的表征。
• Synthesis and Antimicrobial Studies of Coumarin-Substituted Pyrazole Derivatives as Potent Anti-Staphylococcus aureus Agents
  作者：Rawan Alnufaie、Hansa Raj KC、Nickolas Alsup、Jedidiah Whitt、Steven Andrew Chambers、David Gilmore、Mohammad A. Alam

  DOI：10.3390/molecules25122758

  日期：——

  In this paper, synthesis and antimicrobial studies of 31 novel coumarin-substituted pyrazole derivatives are reported. Some of these compounds have shown potent activity against methicillin-resistant Staphylococcus aureus (MRSA) with minimum inhibitory concentration (MIC) as low as 3.125 µg/mL. These molecules are equally potent at inhibiting the development of MRSA biofilm and the destruction of preformed

  本文报道了 31 种新型香豆素取代吡唑衍生物的合成和抗菌研究。其中一些化合物已显示出对耐甲氧西林金黄色葡萄球菌 (MRSA) 的有效活性，最低抑菌浓度 (MIC) 低至 3.125 µg/mL。这些分子在抑制 MRSA 生物膜的发展和预先形成的生物膜的破坏方面同样有效。这些结果非常重要，因为 MRSA 菌株已成为人类最具威胁的病原体之一，并且这种细菌在死亡率方面正在绕过 HIV。
• Mechanistic Dichotomy with Alkynes in the Formal Hydrohydrazination/Fischer Indolization Tandem Reaction Catalyzed by a Ph3PAuNTf2/pTSA Binary System
  作者：Nitin T. Patil、Ashok Konala

  DOI：10.1002/ejoc.201001114

  日期：2010.12

  method involving a formal hydrohydrazination/ Fischer indolization tandem reaction to synthesize 2,3-disubstituted indoles from alkynes and arylhydrazines has been developed. The approach uses a Ph 3 PAuNTf 2 /pTSA·H 2O binary catalytic system in which a very low catalyst loading of Ph 3 PAuNTf 2 (2 mol-%) is required. The reaction time is very short and, most importantly, the reaction is not sensitive

  已经开发了一种有效的方法，包括正式的氢化肼/Fischer 吲哚化串联反应，以从炔烃和芳基肼合成 2,3-二取代吲哚。该方法使用Ph 3 PAuNTf 2 /pTSA·H 2O 二元催化系统，其中需要非常低的Ph 3 PAuNTf 2 (2 mol-%)催化剂负载。反应时间很短，最重要的是，反应对水分不敏感。已经研究了这些反应的机制，结果使我们提出了一个有趣的机制二分法。当炔烃在系链中具有 OH/COOH 基团时，发生加氢烷氧基化/加氢羧化以生成环外烯醇醚/内酯，与肼反应生成吲哚。在炔烃缺少 OH/COOH 基团的情况下，

表征谱图