4-(三氟甲氧基)苯氧基乙酸肼 | 175204-36-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(三氟甲氧基)苯氧基乙酸肼
• 英文名称: 4-trifluoromethoxyphenoxyacetic acid hydrazide
• 英文别名: 2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
• CAS: 175204-36-1
• 化学式: C₉H₉F₃N₂O₃
• mdl: MFCD00052355
• 分子量: 250.177
• InChiKey: LBBKIDVFMPXFOD-UHFFFAOYSA-N

物化性质

• 熔点：
  130 °C
• 沸点：
  379.2±42.0 °C(Predicted)
• 密度：
  1.390±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  73.6
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2928000090

SDS

Name:	2-[4-(Trifluoromethoxy)phenoxy]ethanohydrazide 97% Material Safety Data Sheet
Synonym:	4-(Trifluoromethoxy)phenoxyacetic acid hydrazid
CAS:	175204-36-1

Section 1 - Chemical Product MSDS Name:2-[4-(Trifluoromethoxy)phenoxy]ethanohydrazide 97% Material Safety Data Sheet
Synonym:4-(Trifluoromethoxy)phenoxyacetic acid hydrazid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175204-36-1	2-[4-(Trifluoromethoxy)phenoxy]ethanoh	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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:
Treat symptomatically and supportively.

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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.
Store under nitrogen.

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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# 175204-36-1: 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: white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 130 - 133 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: C9H9F3N2O3
Molecular Weight: 250

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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, hydrogen fluoride gas.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175204-36-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-[4-(Trifluoromethoxy)phenoxy]ethanohydrazide - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 175204-36-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175204-36-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175204-36-1 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：

  4-(三氟甲氧基)苯氧基乙酸肼 在 potassium hydroxide 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 2-(methylthio)-5-((4-(trifluoromethoxy)phenoxy)methyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  2,5-取代基-1,3,4-噁（噻）二唑硫醚类衍生物、其制备方法及应用

  摘要：

  本发明公开了一种2,5‑取代基‑1,3,4‑噁（噻）二唑硫醚类衍生物、其制备方法及应用，其通式如下：(I)其中：R1为4‑氯苯基、4‑氟苯基、4‑甲基苯基、4‑甲氧基苯基、4‑硝基苯基、4‑氰基‑3,5‑二氟苯基、4‑三氟甲基苯基、4‑三氟甲氧基苯基、4‑叔丁基苯基、2‑氟苯基等取代基；R2为甲基、乙基、4‑氯苄基、2,4‑二氯苄基、4‑三氟甲氧基、苄基、4‑氟苄基、4‑氯苄基等取代基；X为O或S。本发明的化合物可用作杀农作物线虫和抑制作物细菌性病的药物。

  公开号：

  CN106432125A
• 作为产物：
  描述：

  (4-trifluoromethoxy-phenoxy)-acetic acid ethyl ester 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 4-(三氟甲氧基)苯氧基乙酸肼
  参考文献：
  名称：

  含3-氯吡啶-2-基-1 H-吡唑骨架的1,3,4-恶二唑衍生物的合成及杀幼虫活性

  摘要：

  摘要设计，合成和表征了具有3-氯吡啶-2--2-基-1 H-吡唑部分的一系列新的1,3,4-恶二唑衍生物。对棉铃虫和小菜蛾的生物测定结果表明，一些合成的化合物显示出显着的杀幼虫活性。特别是，对小菜蛾的最具活性的化合物的LC 50值为46.5、23.9和13.9 mg / dm 3，对棉铃虫的最有效化合物的LC 50值为88.3和69.5 mg / dm 3，后者比商品毒死rif稍好一些（ LC 50 103.77 mg / dm 3）。还讨论了初步SAR。 图形概要

  DOI：

  10.1007/s00706-017-2060-3

文献信息

• Substituted piperidine compounds useful as modulators of chemokine receptor activity
  申请人：Thom Stephen

  公开号：US06903085B1

  公开（公告）日：2005-06-07

  The invention provides compounds of formula (I) wherein R 1 , R 2 , R 3 , R 6 , Z, Q, m, n, X 1 , X 2 , X 3 , X 4 and T are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them, and their use in therapy, especially for the treatment of chemokine receptor related diseases and conditions

  这项发明提供了式（I）中R1、R2、R3、R6、Z、Q、m、n、X1、X2、X3、X4和T的化合物，其制备方法，含有它们的药物组合物，以及它们在治疗中的应用，特别是用于治疗与趋化因子受体相关的疾病和症状。
• Synthesis, Nematicidal Activity, and 3D-QSAR of Novel 1,3,4-Oxadiazole/ Thiadiazole Thioether Derivatives
  作者：Jixiang Chen、Xiuhai Gan、Chongfen Yi、Shaobo Wang、Yuyuan Yang、Fangcheng He、Deyu Hu、Baoan Song

  DOI：10.1002/cjoc.201800282

  日期：2018.10

  Forty one novel 1,3,4‐oxadiazole/thiadiazole thioether derivatives containing phenoxy moiety were designed and synthesized. Bioassay demonstrated that some of them showed remarkable activities against Tylenchulus semipenetrans in vitro and in vivo. Compounds 20, 21, 35 and 39 showed excellent lethal activities after treatment for 48 h in vitro, with LC50 values of 13.4 ± 1.8, 11.7 ± 2.5, 13.7 ± 2.4

  设计并合成了41种新颖的含苯氧基的1,3,4-恶二唑/噻二唑硫醚衍生物。生物测定表明，他们中的一些表现出显着的抵抗活动半穿刺 在体外和体内。化合物20，21，35和39表现出优异的致死活性治疗48小时后在体外，用LC 50倍·L 13.4±1.8的值，11.7±2.5，13.7±2.4和13.3±1.1毫克-1，分别，将其明显优于邻苯二甲酸酯（49.1±2.8 mg·L –1）和阿维菌素（26.6±2.3 mg·L –1）。化合物21可以在200 mg·L –1的体内有效地控制由T. semipenetrans引起的柑橘线虫病，其抑制作用为（68±3）％，甚至优于阿维菌素（（63±2）％）。建立了三维定量结构-活性关系（3D-QSAR）的CoMFA和CoMSIA模型。化合物33是根据3D-QSAR模型设计的，在体外（LC 50  = 9.8±1.4 mg·L –1）和体内（（70±5）％）
• SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
  申请人：AstraZeneca UK Limited

  公开号：EP1212299B1

  公开（公告）日：2009-04-08
• US6903085B1
  申请人：——

  公开号：US6903085B1

  公开（公告）日：2005-06-07
• [EN] SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] COMPOSES DE PIPERIDINE SUBSTITUES UTILES COMME MODULATEURS DE L'ACTIVITE DE RECEPTEURS DE CHIMIOKINE
  申请人：ASTRAZENECA UK LTD

  公开号：WO2001014333A1

  公开（公告）日：2001-03-01

  The invention provides compounds of formula (I) wherein R?1, R2, R3, R6¿, Z, Q, m, n, X?1, X2, X3, X4¿ and T are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them, and their use in therapy, especially for the treatment of chemokine receptor related diseases and conditions.