2,4-二氟苯肼 | 40594-30-7

• 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: 2,4-二氟苯肼
• 英文名称: 2,4-difluorophenylhydrazine
• 英文别名: (2,4-difluorophenyl)hydrazine
• CAS: 40594-30-7
• 化学式: C₆H₆F₂N₂
• mdl: MFCD00042256
• 分子量: 144.124
• InChiKey: RLZUIPTYDYCNQI-UHFFFAOYSA-N

物化性质

• 熔点：
  65 °C
• 沸点：
  185.1±30.0 °C(Predicted)
• 密度：
  1.379±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• 稳定性/保质期：
  常规情况下不会分解，没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37
• 危险类别码：
  R20/21/22,R36/37/38
• WGK Germany：
  3
• 海关编码：
  2928000090
• 储存条件：
  密封、阴凉、干燥保存

SDS

Name:	1-(2 4-Difluorophenyl)hydrazine 95+% Material Safety Data Sheet
Synonym:
CAS:	40594-30-7

Section 1 - Chemical Product MSDS Name:1-(2 4-Difluorophenyl)hydrazine 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
40594-30-7	1-(2,4-Difluorophenyl)hydrazine	95+%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

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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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 40594-30-7: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: beige
Odor: characteristic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 63 - 65 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H6F2N2
Molecular Weight: 144

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 40594-30-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(2,4-Difluorophenyl)hydrazine - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 40594-30-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 40594-30-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40594-30-7 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途：用于医药中间体生产。

反应信息

• 作为反应物：
  描述：

  2,4-二氟苯肼 在 2-甲基苯磺酸 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 18.0h， 生成 1-(2,4-difluorophenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one
  参考文献：
  名称：

  吡唑并[4,3-c]吡啶-4-酮及其相关化合物的合成和正性活性。

  摘要：

  两个系列的3,6-二甲基-1-苯基-1H-吡唑并[4,3-c]吡啶-4-酮（5-9）和3,6-二甲基-1-苯基-1H-吡唑并[4，由脱氢乙酸制备3-c]吡啶-4-硫酮（11-13），并在体外评估其正性肌力活性。此外，将合成化合物的活性与作为参考的米力农进行了比较。在这些化合物中，8a，11a和12的正性肌力活性分别比mirlinone强约1.24、1.77和1.11倍。

  DOI：

  10.1002/jps.2600810624
• 作为产物：
  描述：

  (2,4-二氟苯基)肼盐酸盐(1:1) 在 sodium carbonate 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 1.33h， 以98%的产率得到2,4-二氟苯肼
  参考文献：
  名称：

  Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase

  摘要：

  本文提供了以下式(I)的化合物： 以及其药学上可接受的盐，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物对于治疗诸如II型糖尿病和代谢综合征等疾病是有用的。

  公开号：

  US20070049632A1

文献信息

• Novel Indole-Based Analogs of Melatonin: Synthesis and in Vitro Antioxidant Activity Studies
  作者：Hanif Shirinzadeh、Burcu Eren、Hande Gurer-Orhan、Sibel Suzen、Seçkin Özden

  DOI：10.3390/molecules15042187

  日期：——

  The aim of this study was to synthesize and examine possible in vitro antioxidant effects of indole-based melatonin analogue compounds. As a part of our ongoing study nineteen indole hydrazide/hydrazone derivatives were synthesized, characterized and their in vitro antioxidant activity was investigated by three different assays: by evaluating their reducing effect against oxidation of a redox sensitive fluorescent probe, by examining their protective effect against H2O2-induced membrane lipid peroxidation and by determining their inhibitory effect on AAPH–induced hemolysis of human erythrocytes. The results indicated significant strong antioxidant activity for most of the compounds, when compared to melatonin.

  本研究旨在合成并探究基于吲哚的褪黑素类似物可能的体外抗氧化效果。作为我们正在进行的研究的一部分，合成了十九种吲哚酰肼/酰腙衍生物，并对其进行了表征，通过三种不同的检测方法研究了它们的体外抗氧化活性：通过评估它们对氧化还原敏感荧光探针氧化反应的还原作用，通过检测它们对H2O2诱导的膜脂质过氧化的保护作用，以及通过确定它们对AAPH诱导的人类红细胞溶血的抑制作用。结果表明，与褪黑素相比，大多数化合物显示出显著强抗氧化活性。
• Continuous Flow Process For the Synthesis of Phenylhydrazine Salts and Substituted Phenylhydrazine Salts
  申请人：SHANGHAI HYBRID-CHEM TECHNOLOGIES

  公开号：US20190152896A1

  公开（公告）日：2019-05-23

  The present invention provided a continuous flow process for the synthesis of phenylhydrazine salts and substituted phenylhydrazine salts. Diazotization, reduction, acidic hydrolysis and salifying with acids are innovatively integrated together. Using acidic liquids of aniline or substituted aniline, diazotization reagents, reductants and acids as raw materials, phenylhydrazine derivative salts is obtained through the synthesis process, which is a three-step continuous tandem reaction including diazotization, reduction, acidic hydrolysis and salifying. The described synthesis process is a kind of integrated solutions, which is carried out in an integrated reactor. The feed inlets of the integrated reactor are continuously filled with raw materials. In the integrated reactor, diazotization, reduction, acidic hydrolysis and salifying are carried out continuously and orderly, and phenylhydrazine salts or substituted phenylhydrazine salts is obtained in the outlet of the integrated reactor without interruption. The total reaction time is no more than 20 min.

  本发明提供了一种连续流程，用于合成苯肼盐和取代苯肼盐。重氮化、还原、酸性水解和酸化与酸类创新地集成在一起。使用苯胺或取代苯胺的酸性液体、重氮化试剂、还原剂和酸类作为原料，通过合成过程获得苯肼衍生物盐，这是一个包括重氮化、还原、酸性水解和酸化的三步连续串联反应。所述的合成过程是一种集成解决方案，是在一个集成反应器中进行的。集成反应器的进料口连续填充原料。在集成反应器中，重氮化、还原、酸性水解和酸化被连续有序地进行，苯肼盐或取代苯肼盐在集成反应器的出口处获得，没有中断。总反应时间不超过20分钟。
• THERAPEUTIC 5,6,5-TRICYCLIC ANALOGS
  申请人：Gupta Varsha

  公开号：US20120095016A1

  公开（公告）日：2012-04-19

  The invention provides a novel chemical series of formula I, as well as methods of use thereof for binding to the benzodiazepine site of the GABA A receptor and negatively modulating the α5 subtype of GABA A , and use of the compound of formula I in the manufacture of a medicament for the treatment of GABA A receptor associated disorders. The invention further provides a method of modulation of one or more GABA A subtypes in an animal comprising administering to the animal an effective amount of a compound of formula (I).

  这项发明提供了一种新颖的化学系列，其化学式为I，以及利用该化合物结合到GABA A 受体的苯二氮卓位点并负性调节GABA A 的α5亚型的方法，以及利用化合物I的制备药物治疗GABA A 受体相关疾病的方法。该发明还提供了一种在动物体内调节一个或多个GABA A 亚型的方法，包括向动物体内施用化合物I的有效量。
• 5-Membered heterocyclic compound
  申请人：Nishida Haruyuki

  公开号：US20090156642A1

  公开（公告）日：2009-06-18

  The present invention provides 5-membered heterocycle compounds represented by the following general formula (I): The present compounds have a superior acid secretion inhibitory effect, and shows an antiulcer activity and the like.

  本发明提供了以下通式(I)表示的5元杂环化合物： 本化合物具有优异的抑制胃酸分泌效果，并显示出抗溃疡活性等。
• New pyrazolones as 11b-HSD1 inhibitors for diabetes
  申请人：Amrein Kurt

  公开号：US20070049574A1

  公开（公告）日：2007-03-01

  Compounds of formula as well as pharmaceutically acceptable salts and esters thereof, wherein R 1 to R 4 have the significance given in claim 1 can be used in the form of pharmaceutical compositions.

  公式化合物以及医药可接受的它们的盐和酯，其中R1至R4的意义如权利要求1中所给出，可以用作药物组合物。