3-氯-5-(三氟甲基)吡啶-2-基肼 | 89570-82-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-氯-5-(三氟甲基)吡啶-2-基肼
• 中文别名: 3-氯-5-(三氟甲基)吡啶-基肼
• 英文名称: 3-chloro-2-hydrazinyl-5-(trifluoromethyl)pyridine
• 英文别名: 3-chloro-2-hydrazino-5-trifluoromethylpyridine；[3-chloro-5-(trifluoromethyl)-2-pyridyl]hydrazine；3-chloro-5-(trifluoromethyl)-pyridin-2-yl-hydrazine；[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazine
• CAS: 89570-82-1
• 化学式: C₆H₅ClF₃N₃
• mdl: MFCD00067865
• 分子量: 211.574
• InChiKey: KHFKSHYCVQZAQP-UHFFFAOYSA-N

物化性质

• 熔点：
  90 °C
• 沸点：
  201.2±50.0 °C(Predicted)
• 密度：
  1.62±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  50.9
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xn,Xi
• 安全说明：
  S20/21,S36/37/39
• 危险类别码：
  R20/21/22
• 海关编码：
  2933990090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P280,P305+P351+P338,P311
• 危险品运输编号：
  2811
• 危险性描述：
  H302+H312,H315,H319,H331,H335
• 储存条件：
  室温

SDS

Name:	1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl] hydrazine 95+% Material Safety Data Sheet
Synonym:
CAS:	89570-82-1

Section 1 - Chemical Product MSDS Name:1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl] hydrazine 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
89570-82-1	1-[3-Chloro-5-(trifluoromethyl)-2-pyri	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# 89570-82-1: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 90 - 92 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: C6H5ClF3N3
Molecular Weight: 212

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, hydrogen cyanide, 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# 89570-82-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl] 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# 89570-82-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 89570-82-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 89570-82-1 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

反应信息

• 作为反应物：
  描述：

  3-氯-5-(三氟甲基)吡啶-2-基肼 在 盐酸 、 sodium nitrite 作用下， 以71%的产率得到8-chloro-6-trifluoromethyltetrazolo[1,5-a]pyridine
  参考文献：
  名称：

  1,3-二氮杂pine的合成和环收缩为氰基吡咯。

  摘要：

  几个四唑并[1,5-a]吡啶/ 2-叠氮基吡啶在低温氩气中经历光化学氮消除和环扩展为1,3-二氮杂环庚-1,2,4,6-四烯以及环裂解为氰基乙烯基酮亚胺。矩阵。6,8-二氯四唑并[1,5-a]吡啶/ 2-叠氮基-3,5-二氯吡啶易于将位置8（3）上的氯与ROH / RONa交换。8-氯-6-三氟甲基四唑并[1,5-a]吡啶经历CF（3）基团的溶剂分解，得到8-氯-6-甲氧基羰基四唑并[1,5-a]吡啶。在醇或胺存在下光解时，几种四唑并吡啶/ 2-叠氮基吡啶可提供高产率的1H-或5H-1,3-二氮杂pine。5-氯四唑并[1,5-a]吡啶/ 2-叠氮基-6-氯吡啶并分别重排为1H-和3H-3-氰基吡咯并。通过（15）N-标记研究了这种重排的机制，该机制是通过短暂的1,3-二氮杂s发生的。6,8-二氯四唑并[1,5-a]吡啶，6-氯-8-乙氧基四唑并[1,5-a]吡啶，二吡咯基甲烷和2-异丙氧

  DOI：

  10.1039/b311247k
• 作为产物：
  描述：

  2,3-二氯-5-三氟甲基吡啶 在 hydrazine hydrate 作用下， 以 乙醇 为溶剂， 反应 72.0h， 生成 3-氯-5-(三氟甲基)吡啶-2-基肼
  参考文献：
  名称：

  某些含吡啶部分的新型的微波辅助合成及抗真菌活性

  摘要：

  以2,3-二氯-5-（三氟甲基）吡啶为原料，以微波为原料，设计合成了一系列含吡啶部分的衍生物，并通过1 H NMR，MS和元素分析对其结构进行了表征。测定了标题化合物的生物活性。结果表明一些标题化合物表现出良好的抗真菌活性。

  DOI：

  10.2174/1570180812666151003002140

文献信息

• Insecticidal Benzenedicarboxamide Derivative
  申请人：Wada Katsuaki

  公开号：US20110184188A1

  公开（公告）日：2011-07-28

  The present invention relates to a novel benzenedicarboxamide derivative and the use thereof as an insecticide having the formula (I) wherein the chemical groups W 1 to W 9 , and R 1 to R 3 are as defined here-in.

  本发明涉及一种新型苯二甲酰胺衍生物及其作为杀虫剂的用途，其化学式为(I)，其中化学基团W1至W9，以及R1至R3如本文所定义。
• Fungicides
  申请人：Cooke Tracey

  公开号：US06939882B1

  公开（公告）日：2005-09-06

  Use of compounds of general formula (I) or salts thereof as phytopathogenic fungicides wherein the various radicals and substituents are as defined in the description, pesticidal compositions containing them and method for combatting pests which comprises applying these.

  将一般式（I）的化合物或其盐用作植物病原真菌杀菌剂，其中各种基团和取代基的定义如描述中所述，含有它们的杀虫剂组合物以及用于防治害虫的方法，包括应用这些化合物。
• A Facile One-Pot Synthesis of Novel 1,2,4-Triazolo[4,3-a]Pyridine Derivatives Containing the Trifluoromethyl Moiety Using Microwave Irradiation
  作者：Ming-Yan Yang、Zhi-Wen Zhai、Zhao-Hui Sun、Shu-Jing Yu、Xing-Hai Liu、Jian-Quan Weng、Cheng-Xia Tan、Wei-Guang Zhao

  DOI：10.3184/174751915x14400874295745

  日期：2015.9

  A series of novel substituted 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridines are synthesised from 2,3-dichloro-5-(trifluoromethyl)pyridine, hydrazine hydrate as starting materials by multi-step reactions under microwave irradiation. Their chemical structures can be characterised by 1H NMR, MS and elemental analysis. The title compounds exhibit weak antifungal activity.

  以2,3-二氯-5-(三氟甲基)吡啶、水合肼为原料合成了一系列新型取代的8-氯-6-(三氟甲基)-[1,2,4]三唑并[4,3-a]吡啶类化合物在微波辐射下通过多步反应制备起始材料。它们的化学结构可以通过1H NMR、MS和元素分析来表征。标题化合物表现出弱的抗真菌活性。
• Herbicidal derivatives of
  申请人：FMC Corporation

  公开号：US05321002A1

  公开（公告）日：1994-06-14

  Herbicidal compounds, compositions containing them, and a method for controlling weeds by application of the compositions are disclosed. The herbicidal compounds are 2-(1-aryl-4-cyano-5-pyrazolylmethyleneiminooxy)alkanoic acid derivatives of the structure: ##STR1## in which R is lower alkyl, lower alkenyl, or lower alkynyl, each optionally substituted with halogen, or CH(R.sup.1)--C(O)--Y--R.sup.2 ; R.sup.1 is hydrogen or lower alkyl; R.sup.2 is one of a variety of substituents; Y is O or NH; Z is lower alkyl or lower alkoxy; and Ar is 3-chloro-5-trifluoromethyl-2-pyridyl, 2,6-dichloro-4-trifluoromethylphenyl, or 2,4,6-trichlorophenyl.

  除草化合物、含有它们的组合物以及通过应用这些组合物来控制杂草的方法已被披露。这些除草化合物是结构为2-(1-芳基-4-氰基-5-吡唑基甲亚氧基)烷酸衍生物的化合物：##STR1## 其中R是较低的烷基、较低的烯基或较低的炔基，每个都可以选择性地用卤素取代，或者CH(R.sup.1)--C(O)--Y--R.sup.2；R.sup.1是氢或较低的烷基；R.sup.2是多种取代基中的一种；Y是O或NH；Z是较低的烷基或较低的烷氧基；Ar是3-氯-5-三氟甲基-2-吡啶基、2,6-二氯-4-三氟甲基苯基或2,4,6-三氯苯基中的一种。
• HETEROCYCLIC COMPOUND
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20150266872A1

  公开（公告）日：2015-09-24

  The present invention provides a compound or a salt thereof useful for an agent for the prophylaxis or treatment of neurodegenerative disease and the like. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the present specification, or a salt thereof.

  本发明提供了一种化合物或其盐，用于预防或治疗神经退行性疾病等疾病的药剂。本发明涉及一种由下式表示的化合物其中每个符号如本说明书中所定义的，或其盐。