3,5-二氯-4-氟三氟甲苯 | 77227-81-7

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟甲苯系列
• 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: 3,5-二氯-4-氟三氟甲苯
• 中文别名: 3.5-二氯-4-氟三氟甲苯
• 英文名称: 1,3-dichloro-2-fluoro-5-(trifluoromethyl)benzene
• 英文别名: 3,5-Dichloro-4-fluoro-trifluoromethylbenzene；3,5-dichloro-4-fluorobenzotrifluoride；3,5-dichloro-4-fluoro[(trifluoromethyl)benzene]；1,3-dichloro-2-fluoro-5-trifluoromethylbenzene；3,5-dichloro-4-fluoro benzotrifluoride；3,5-dichloro-4-fluoro-benzotrifluoride
• CAS: 77227-81-7
• 化学式: C₇H₂Cl₂F₄
• mdl: MFCD00068183
• 分子量: 232.992
• InChiKey: BWQFQKZDLBJZAW-UHFFFAOYSA-N

物化性质

• 沸点：
  166-168 °C (lit.)
• 密度：
  1.555 g/mL at 25 °C (lit.)
• 闪点：
  164 °F
• 稳定性/保质期：

  远离强氧化剂、强还原剂、热源、明火和火花。

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  0
• 氢给体数：
  0
• 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
• 危险类别码：
  R22,R41
• WGK Germany：
  3
• 海关编码：
  2903999090
• 危险品运输编号：
  UN 2810 6.1/PG 3
• 危险标志：
  GHS05,GHS06
• 危险性描述：
  H301,H318
• 危险性防范说明：
  P280,P301 + P310,P305 + P351 + P338
• 包装等级：
  III
• 危险类别：
  8,6.1
• 储存条件：
  存放在密封容器内，并放置在阴凉、干燥处。储存地点须远离氧化剂，避免靠近热源和明火。

SDS

Name:	3 5-Dichloro-4-fluorobenzotrifluoride 98% Material Safety Data Sheet
Synonym:	1,3-Dichloro-2-fluoro-5-(trifluoromethyl)-benzene; 3,5-Dichloro-4-fluoro-alpha,alpha,alpha-trifluorotoluen
CAS:	77227-81-7

Section 1 - Chemical Product MSDS Name:3 5-Dichloro-4-fluorobenzotrifluoride 98% Material Safety Data Sheet
Synonym:1,3-Dichloro-2-fluoro-5-(trifluoromethyl)-benzene; 3,5-Dichloro-4-fluoro-alpha,alpha,alpha-trifluorotoluen

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
77227-81-7	3,5-Dichloro-4-fluorobenzotrifluoride	98.0	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.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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.
Antidote: None reported.

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Combustible liquid.
Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 77227-81-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 166 - 168 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 73 deg C ( 163.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.5550g/cm3
Molecular Formula: C7H2Cl2F4
Molecular Weight: 232.99

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 77227-81-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,5-Dichloro-4-fluorobenzotrifluoride - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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# 77227-81-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 77227-81-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 77227-81-7 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

应用

2,6-二氯-对三氟甲基苯胺是一种医药和农药化学中间体，在医药和农药领域有着广泛的应用。

制备

在装有搅拌器、回流冷凝管及温度计的1升三口反应瓶中，加入3,4,5-三氯三氟甲苯200克、氟化钾200克以及500毫升环丁砜。加热至190℃并保温搅拌20小时后冷却至100℃。在0.01MPa的压力下蒸出200克粗品（含约10%环丁砜）。然后升温至150℃减压回收环丁砜（可直接用于下一批反应）。最后，将200克粗品3,5-二氯-4-氟三氟甲苯直接用于下一步的氨化反应。

反应信息

• 作为反应物：
  描述：

  3,5-二氯-4-氟三氟甲苯 在 肼 作用下， 以 四氢呋喃 为溶剂， 反应 91.0h， 以87%的产率得到2,6-二氯-4-三氟甲基苯肼
  参考文献：
  名称：

  WO2008/113661

  摘要：

  公开号：
• 作为产物：
  描述：

  3,5-二硝基-4-氟三氟甲苯 生成 3,5-二氯-4-氟三氟甲苯
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex
  申请人：Hormann Eugene Robert

  公开号：US20060020146A1

  公开（公告）日：2006-01-26

  The present invention relates to non-steroidal ligands for use in nuclear receptor-based inducible gene expression system, and a method to modulate exogenous gene expression in which an ecdysone receptor complex comprising: a DNA binding domain; a ligand binding domain; a transactivation domain; and a ligand is contacted with a DNA construct comprising: the exogenous gene and a response element; wherein the exogenous gene is under the control of the response element and binding of the DNA binding domain to the response element in the presence of the ligand results in activation or suppression of the gene.

  本发明涉及用于核受体基于诱导基因表达系统的非甾体配体，以及一种调节外源基因表达的方法，其中包括一个包含：DNA结合结构域；配体结合结构域；转活化结构域；和配体的ecdysone受体复合物与包含外源基因和响应元件的DNA构建物接触；其中外源基因受响应元件控制，并且在配体存在的情况下DNA结合结构域与响应元件结合导致基因的激活或抑制。
• Arylindazoles and their use as herbicides
  申请人：Zeneca Limited

  公开号：US05444038A1

  公开（公告）日：1995-08-22

  This invention relates to substituted aryl indazoles, a process for producing them and their use as herbicides. In particular this invention relates to substituted aryl indazoles of the formula ##STR1## wherein all variables are as defined in the specification.

  这项发明涉及取代芳基吲唑，一种生产它们的方法以及它们作为除草剂的用途。特别是，这项发明涉及公式##STR1##中的取代芳基吲唑，其中所有变量如规范中定义的那样。
• The fluorination of organic substrates with tetraphenyl-phosphonium hydrogendifluoride
  作者：S.J. Brown、J.H. Clark

  DOI：10.1016/s0022-1139(00)84961-1

  日期：1985.12

  Tetraphenylphosphonium hydrogendifluoride acts as a powerful source of F− in various reactions with organic substrates to give fluorine containing-products

  四苯基鏻氢二作为f的强大的源-在各种反应与有机底物，得到含氟产品
• N-(hetero)aryl indole derivatives as pesticides
  申请人：Novartis AG

  公开号：EP1783114A1

  公开（公告）日：2007-05-09

  The invention relates to compounds of the general formula wherein R1, R2, R3, R4, R5, R6, A, X, m and n have the significances given in claim 1, and optionally the enantiomers thereof. The active ingredients have advantageous pesticidal properties. They are especially suitable for controlling parasites on warm-blooded animals and plants.

  这项发明涉及一般式的化合物 其中R1、R2、R3、R4、R5、R6、A、X、m和n具有权利要求1中给定的含义，以及它们的对映体。这些活性成分具有有利的杀虫性能。它们特别适用于控制温血动物和植物上的寄生虫。
• 3-arylphenyl sulfide derivative and insecticide and miticide
  申请人：Kumiai Chemical Industry Co., Ltd.

  公开号：US06509354B1

  公开（公告）日：2003-01-21

  3-Arylphenyl sulfide derivatives represented by general formula (I): (wherein R is a C2-C6 alkyl group, a C2-C6 alkenyl group, a C2-C6 alkynyl group or the like, B0 to B2 and B3 are hydrogen atoms, halogen atoms, cyano groups, C1-C4 haloalkyl groups or the like, n is 0, 1 or 2, and Ar is a phenyl ring, a pyridine ring, a thiophene ring, a pyrazole ring or the like), and insecticides and miticides containing the 3-arylphenyl sulfide derivatives as an active ingredient.

  通用式(I)表示的3-芳基苯基硫醚衍生物：（其中R是C2-C6烷基，C2-C6烯基，C2-C6炔基或类似物，B0至B2和B3是氢原子，卤素原子，氰基，C1-C4卤代烷基或类似物，n为0，1或2，Ar是苯环，吡啶环，噻吩环，吡唑环或类似物），以及含有3-芳基苯基硫醚衍生物作为活性成分的杀虫剂和杀螨剂。

表征谱图