2-氯-4-(三氟甲基)苯肼 | 86398-98-3

• 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-氯-4-(三氟甲基)苯肼
• 英文名称: 2-chloro-4-trifluoromethylphenyl hydrazine
• 英文别名: (2-chloro-4-(trifluoromethyl)phenyl)hydrazine；[2-chloro-4-(trifluoromethyl)phenyl]hydrazine；2-chloro-4-(trifluoromethyl)phenylhydrazine；1-(2-chloro-4-(trifluoromethyl)phenyl)hydrazine；2-chloro-4-trifluoromethyl-phenylhydrazine
• CAS: 86398-98-3
• 化学式: C₇H₆ClF₃N₂
• 分子量: 210.586
• InChiKey: KSESZRGARIEOFC-UHFFFAOYSA-N

物化性质

• 熔点：
  39 °C
• 沸点：
  80-85°C 0,25mm
• 密度：
  1.487±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2928000090

SDS

Name:	1-[2-Chloro-4-(trifluoromethyl)phenyl]hydrazine 95+% Material Safety Data Sheet
Synonym:
CAS:	86398-98-3

Section 1 - Chemical Product MSDS Name:1-[2-Chloro-4-(trifluoromethyl)phenyl]hydrazine 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
86398-98-3	1-[2-Chloro-4-(trifluoromethyl)phenyl]	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# 86398-98-3: 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: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 80 - 85 deg C @0.25mmHg
Freezing/Melting Point: 39 - 41 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: C7H6ClF3N2
Molecular Weight: 211

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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.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, 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# 86398-98-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-[2-Chloro-4-(trifluoromethyl)phenyl]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# 86398-98-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 86398-98-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 86398-98-3 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：

  2-氯-4-(三氟甲基)苯肼 在 sodium acetate 、 四氰基乙烯 作用下， 以 溶剂黄146 为溶剂， 生成 5-amino-1-(2-chloro-4-trifluoromethylphenyl)-3,4-dicyanopyrazole
  参考文献：
  名称：

  Derivatives of N-phenylpyrazoles

  摘要：

  N-苯基吡唑衍生物的化学式为：##STR1## 其中R.sup.1代表氰基，硝基，卤素，乙酰基或甲酰基；R.sup.2代表R.sup.5 SO.sub.2，R.sup.5 SO或R.sup.5 S，其中R.sup.5可选择地被卤素取代的烷基，烯基或炔基；R.sup.3代表氢原子或基团NR.sup.6 R.sup.7，其中R.sup.6和R.sup.7各自代表氢，烷基，烯基烷基，炔基烷基，甲酰基，可选择地被卤素取代的烷酰基，可选择地被卤素取代的烷氧羰基，或烷氧亚甲基氨基，卤素，或R.sup.6和R.sup.7一起形成环状亚酰胺，R.sup.4代表取代苯基团，具有杀虫，植物线虫，驱虫和抗原虫药物性质；描述了它们的制备，含有它们的组合物以及它们的用途。

  公开号：

  US05232940A1
• 作为产物：
  描述：

  3,4-二氯三氟甲苯 以 N,N,N',N'-tetramethylurea 为溶剂， 以72%的产率得到2-氯-4-(三氟甲基)苯肼
  参考文献：
  名称：

  Processes for preparing pesticidal intermediates

  摘要：

  通过氢解式合成式（II）的化合物，可以制备出式（I）的化合物：其中R1是卤代烷基、卤代烷氧基或−SF5；W是N或CR3；R2和R3是H或Cl。式（I）的化合物可以作为制备具有杀虫活性的芳基吡唑化合物的中间体。

  公开号：

  US06410737B1
• 作为试剂：
  描述：

  (Α,Α,Α,2,3,5,6-七氟-P-甲苯基)肼 以 2-氯-4-(三氟甲基)苯肼 为溶剂， 生成 5-amino-3,4-dicyano-1-(2,3,5,6-tetrafluoro-4-trifluoromethylphenyl)pyrazole
  参考文献：
  名称：

  Derivatives of N-phenylpyrazoles

  摘要：

  N-苯基吡唑衍生物的化学式为：##STR1## 其中R.sup.1代表氰基，硝基，卤素，乙酰基或甲酰基；R.sup.2代表R.sup.5 SO.sub.2，R.sup.5 SO或R.sup.5 S，其中R.sup.5可选择地被卤素取代的烷基，烯基或炔基；R.sup.3代表氢原子或基团NR.sup.6 R.sup.7，其中R.sup.6和R.sup.7各自代表氢，烷基，烯基烷基，炔基烷基，甲酰基，可选择地被卤素取代的烷酰基，可选择地被卤素取代的烷氧羰基，或烷氧亚甲基氨基，卤素，或R.sup.6和R.sup.7一起形成环状亚酰胺，R.sup.4代表取代苯基团，具有杀虫，植物线虫，驱虫和抗原虫药物性质；描述了它们的制备，含有它们的组合物以及它们的用途。

  公开号：

  US05232940A1

文献信息

• Methods of inhibiting BTK and SYK protein kinases
  申请人：Goldstein Michael David

  公开号：US20070219195A1

  公开（公告）日：2007-09-20

  Methods of inhibiting a tyrosine kinase wherein said tyrosine kinase is BTK or SYK comprising administering to a patient in need thereof a therapeutically effective amount of a compound according to formula I are disclosed. The compounds are useful for treating auto-immune and inflammatory diseases.

  抑制酪氨酸激酶的方法，其中所述酪氨酸激酶是BTK或SYK，包括向需要的患者施用根据式I的化合物的治疗有效量。这些化合物可用于治疗自身免疫和炎症性疾病。
• [EN] NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS DE PHTALAZINONE SERVANT D'INHIBITEURS DE LA KINASE AURORA-A
  申请人：HOFFMANN LA ROCHE

  公开号：WO2006032518A1

  公开（公告）日：2006-03-30

  Objects of the present invention are the compounds of formula (I) their pharmaceutically acceptable salts, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, medicaments containing them and their manufacture, as well as the use of the above-mentioned compounds in the control or prevention of illnesses such as cancer.

  本发明的对象是公式（I）的化合物及其药学上可接受的盐、对映体形式、二对映异构体和消旋体，上述化合物的制备，含有它们的药物以及其制造，以及上述化合物在控制或预防癌症等疾病中的应用。
• [EN] HERBICIDAL COMPOUNDS<br/>[FR] COMPOSÉS HERBICIDES
  申请人：SYNGENTA LTD

  公开号：WO2013083774A1

  公开（公告）日：2013-06-13

  The present invention relates to compounds of Formula (I), or an agronomically acceptable salt of said compounds wherein R1, R2, R3 and R4 are as defined herein. The invention further relates to herbicidal compositions which comprise a compound of Formula (I), and to their use for controlling weeds, in particular in crops of useful plants.

  本发明涉及式(I)化合物，或所述化合物的农学可接受盐，其中R1、R2、R3和R4按本文定义。本发明进一步涉及包含式(I)化合物的除草组合物，以及它们用于控制杂草的应用，特别是在有用植物的作物中。
• [EN] PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO<br/>[FR] COMPOSITIONS PESTICIDES ET PROCÉDÉS QUI LEUR SONT ASSOCIÉS
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2013106254A1

  公开（公告）日：2013-07-18

  This document discloses pesticidal compositions comprising molecules having the following formula ("Formula One"): and processes related thereto.

  该文件披露了包含具有以下分子式（“公式一”）的杀虫剂组合物，以及相关的工艺。
• [EN] PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO<br/>[FR] COMPOSITIONS PESTICIDES ET PROCESSUS ASSOCIÉS À CELLES-CI
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2014126580A1

  公开（公告）日：2014-08-21

  This document discloses pesticidal compositions comprising molecules having the following formula ("Formula One"), - Structure- wherein the compositions further comprise one or more of additional pesticidally active components. Also disclosed are processes for applying the pesticidal composition to plants, seeds and to soil where the plants are going to be planted. The inventive pesticidal compositions are effective toward eradicating pests such as BAW, CEW and GPA.

  本文件披露了包含具有以下公式（"公式一"）的分子的杀虫组合物，其中这些组合物进一步包括一种或多种额外的杀虫活性成分。还披露了将杀虫组合物应用于植物、种子和即将种植的土壤的过程。这种创新的杀虫组合物对于根除诸如BAW、CEW和GPA等害虫是有效的。