2,3,5,6-四氟-4-甲基苯甲醇 | 79538-03-7

• 物质功能分类: 化学农药原药 - 杀虫剂中间体
• 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: 2,3,5,6-四氟-4-甲基苯甲醇
• 中文别名: 2,3,5,6-四氟-4-甲基苄醇；4-甲基-2,3,5,6-四氟苄醇；对甲基四氟苄醇；四氟对甲基苯甲醇
• 英文名称: 2,3,5,6-tetrafluoro-4-methylbenzyl alcohol
• 英文别名: 4-methyl-2,3,5,6-tetrafluorobenzyl alcohol；(2,3,5,6-tetrafluoro-4-methyl-phenyl)-methanol；(2,3,5,6-Tetrafluoro-4-methylphenyl)methanol
• CAS: 79538-03-7
• 化学式: C₈H₆F₄O
• mdl: MFCD03093260
• 分子量: 194.129
• InChiKey: PJCSTULKVNHEGW-UHFFFAOYSA-N

物化性质

• 熔点：
  61-62°C
• 沸点：
  201.4±35.0 °C(Predicted)
• 密度：
  1.423±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  5

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：
  2942000000
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Name:	2 3 5 6-Tetrafluoro-4-methylbenzyl alcohol Material Safety Data Sheet
Synonym:	None Known
CAS:	79538-03-7

Section 1 - Chemical Product MSDS Name:2 3 5 6-Tetrafluoro-4-methylbenzyl alcohol Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
79538-03-7	2,3,5,6-Tetrafluoro-4-methylbenzyl alc	ca. 100	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. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled. Can produce delayed pulmonary edema.
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. 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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 79538-03-7: 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:
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: Crystals
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 48 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: C8H6F4O
Molecular Weight: 194.13

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 79538-03-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
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# 79538-03-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 79538-03-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 79538-03-7 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

化学性质
本品为无色固体，不溶于水，但能溶解于苯、甲苯等有机溶剂。

用途
2,3,5,6-四氟-4-甲基苄醇是七氟菊酯的中间体。

生产方法
其制备方法是在低于30℃条件下，使用2,3,5,6-四氟-4-甲基苯甲酸与NaBH₄在乙二醇二甲醚中反应，随后在50℃下与硫酸二甲酯在相同溶剂中反应1小时。最后经过后处理步骤得到产品。

反应信息

• 作为反应物：
  描述：

  2,3,5,6-四氟-4-甲基苯甲醇 在 氯化亚砜 、 水 、 N,N-二甲基甲酰胺 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 、 二甲基亚砜 、 甲苯 为溶剂， 反应 51.0h， 生成 派瑞林 F 二聚体
  参考文献：
  名称：

  一种派瑞林F的制备方法

  摘要：

  本发明公开了一种派瑞林F的制备方法，在合理的工作环境下通过4‑甲基四氟苯甲醇与二氯亚砜制备得到4‑甲基四氟苄氯，通过4‑甲基四氟苄氯与甲胺水溶液制备得到4‑甲基四氟季胺盐，通过4‑甲基四氟季胺盐与甲苯体系溶液制备得到派瑞林F。本发明提供了一种派瑞林F的制备方法，通过三次化学反应即可制得，原料获得简单且价格相对较低，是一种十分经济有效的制备方法。

  公开号：

  CN107216232A
• 作为产物：
  描述：

  1,2,4,5-四氟苯 在 lithium aluminium tetrahydride 、 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 4.5h， 生成 2,3,5,6-四氟-4-甲基苯甲醇
  参考文献：
  名称：

  [EN] NOVEL CRYSTALLINE FORM OF TEFLUTHRIN, PROCESS FOR ITS PREPARATION AND USE THEREOF
  [FR] NOUVELLE FORME CRISTALLINE DE TÉFLUTHRINE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION

  摘要：

  提供了化学式为(I)的特氟氰菊酯的晶体形式，晶体制备过程，通过各种分析方法对晶体进行分析，并使用晶体制备稳定的农药配方。还提供了各种溶剂对晶体形式制备条件的使用。

  公开号：

  WO2018218896A1

文献信息

• 12-EPI PLEUROMUTILINS
  申请人：NABRIVA THERAPEUTICS AG

  公开号：US20160332963A1

  公开（公告）日：2016-11-17

  A compound selected from 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteoroaryl-, or aryl)-sulfanyl)-acetyl]-12-epi-mutilins, or 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteoroaryl-, or aryl)-oxy)-acetyl]-12-epi-mutilins, wherein 12-epi-mutilin is characterized in that the mutilin ring at position 12 is substituted by two substituents, the first substituent at position 12 of the mutilin ring is a methyl group which methyl group has the inverse stereochemistry compared with the stereochemistry of the methyl group at position 12 of the naturally occurring pleuromutilin ring, the second substituent at position 12 of the mutilin ring is a hydrocarbon group comprising at least one nitrogen atom and all other substituents of the mutilin ring having the same stereochemistry compared with the stereochemistry of the substituents at the corresponding positions in the naturally occurring pleuromutilin ring; optionally in the form of a salt and/or solvate, wherein the naturally occurring pleuromutilin is of formula processes for the preparation of such compounds and their use as pharmaceuticals.

  从14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-硫基)-乙酰基]-12-epi-木替林，或14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-氧基)-乙酰基]-12-epi-木替林中选择的一种化合物，其中12-epi-木替林的特征在于木替林环在位置12被两个取代基取代，木替林环在位置12的第一个取代基是一个甲基基团，该甲基基团的立体化学与天然存在的普鲁木替林环在位置12的甲基基团的立体化学相反，木替林环在位置12的第二个取代基是一个含有至少一个氮原子的碳氢基团，木替林环的所有其他取代基与天然存在的普鲁木替林环中相应位置的取代基的立体化学相同；可选地以盐和/或溶剂的形式存在，其中天然存在的普鲁木替林的化学式为 制备这类化合物的方法以及它们作为药物的用途。
• Ester compounds
  申请人：Sumitomo Chemical Company, Limited

  公开号：US06034128A1

  公开（公告）日：2000-03-07

  An ester compound represented by the formula: ##STR1## wherein R is a hydrogen atom, a C.sub.1 -C.sub.3 alkyl group unsubstituted or substituted with one or more halogen atoms, an allyl group unsubstituted or substituted with one or more halogen atoms, or a propargyl group unsubstituted or substituted with one or more halogen atoms; and X is a hydrogen atom, a halogen atom, a C.sub.1 -C.sub.3 alkyl group unsubstituted or substituted with one or more halogen atoms, a C.sub.2 -C.sub.3 alkenyl group unsubstituted or substituted with one or more halogen atoms, a C.sub.2 -C.sub.3 alkynyl group unsubstituted or substituted with one or more halogen atoms, a C.sub.1 -C.sub.3 alkoxy group unsubstituted or substituted with one or more halogen atoms, a C.sub.1 -C.sub.3 alkylthio group unsubstituted or substituted with one or more halogen atoms, or a C.sub.1 -C.sub.3 alkoxymethyl group containing a C.sub.1 -C.sub.3 alkoxy group unsubstituted or substituted with one or more halogen atoms, has an excellent pest-controlling effect.

  一个由以下式表示的酯化合物：##STR1## 其中R是氢原子，一个未取代或取代一个或多个卤素原子的C.sub.1-C.sub.3烷基基团，一个未取代或取代一个或多个卤素原子的烯丙基团，或一个未取代或取代一个或多个卤素原子的丙炔基团；X是氢原子，卤素原子，一个未取代或取代一个或多个卤素原子的C.sub.1-C.sub.3烷基基团，一个未取代或取代一个或多个卤素原子的C.sub.2-C.sub.3烯基基团，一个未取代或取代一个或多个卤素原子的C.sub.2-C.sub.3炔基基团，一个未取代或取代一个或多个卤素原子的C.sub.1-C.sub.3烷氧基团，一个未取代或取代一个或多个卤素原子的C.sub.1-C.sub.3烷硫基团，或一个含有一个未取代或取代一个或多个卤素原子的C.sub.1-C.sub.3烷氧基团的C.sub.1-C.sub.3烷氧甲基基团，具有出色的杀虫效果。
• Method for producing cyclopropanecarboxylates
  申请人：——

  公开号：US20020052525A1

  公开（公告）日：2002-05-02

  There is provided a method for producing a cyclopropanecarboxylate of formula (1): 1 which comprises contacting a cyclopropanecarboxylate of formula (2): 2 with a monohydroxy compound of formula (3): R 7 OH  (3) in the presence of a lithium compound of formula (4): R 8 OLi  (4), wherein R 1 , R 2 , R 3 , R 4 and R 5 each independently represent a hydrogen atom, a halogen atom, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkenyl group, or a substituted or unsubstituted aryl group; R 6 represents an alkyl group having 1 to 10 carbon atoms or a substituted or unsubstituted phenyl group; R 7 and R 8 do not simultaneously represent the same and each independently represent a substituted or unsubstituted alkyl group, or a substituted or unsubstituted aryl group.

  提供了一种生产公式（1）环丙烷甲酸酯的方法： 1 该方法包括接触 一种公式（2）的环丙烷甲酸酯： 2 与一种公式（3）的单羟基化合物： R 7 OH  (3) 在公式（4）的锂化合物存在下： R 8 OLi  (4)， 其中R 1 ，R 2 ，R 3 ，R 4 和R 5 每个独立代表 一个氢原子，一个卤素原子， 一个取代或不取代的烷基团， 一个取代或不取代的烯丙基团，或 一个取代或不取代的芳基团； R 6 代表一个有1到10个碳原子的烷基团或 一个取代或不取代的苯基团； R 7 和R 8 不同时代表相同的，且每个独立代表 一个取代或不取代的烷基团，或 一个取代或不取代的芳基团。
• Process for producing cyclopropanecarboxylates
  申请人：——

  公开号：US20020151741A1

  公开（公告）日：2002-10-17

  There is disclosed a process process for producing a cyclopropanecarboxylate of formula (1): 1 which process comprises reacting cyclopropanecarboxylic acid of formula (2): 2 with a monohydroxy compound of formula (3): R 6 OH  (3), in the presence of a catalyst compound comprising an element of to Group 4 of the Periodic Table of Elements.

  披露了一种制备公式(1)所示的环丙烷甲酸酯的方法：1该方法包括将公式(2)所示的环丙烷甲酸与公式(3)所示的单一羟基化合物反应：R6OH  (3)，在含有元素周期表第4族元素的催化剂化合物存在下。
• Process for Producing 3-(2-Cyano-1-propenyl)-2,2- Dimethylcyclopropanecarboxylic Acid or Salt Thereof
  申请人：Uekawa Toru

  公开号：US20120016150A1

  公开（公告）日：2012-01-19

  A process for producing comprising reacting a 3-formyl-2,2-dimethylcyclopropanecarboxylate and propionitrile in the presence of a base to obtain 3-(2-cyano-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid or its salt.

  生产过程包括在碱的存在下，通过将3-甲酰基-2,2-二甲基环丙基羧酸酯和丙腈反应，得到3-(2-氰丙烯基)-2,2-二甲基环丙基羧酸或其盐。