十氟二苯甲醇 | 1766-76-3

• 物质功能分类: 化学试剂 - 有机试剂 - 芳香醇
• 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: 十氟二苯甲醇
• 中文别名: 十甲基苯氟酸酯
• 英文名称: decafluorobenzhydrol
• 英文别名: 1,1-bis(pentafluorophenyl)methanol；Bis(pentafluorophenyl)methanol；bis(2,3,4,5,6-pentafluorophenyl)methanol
• CAS: 1766-76-3
• 化学式: C₁₃H₂F₁₀O
• mdl: MFCD00000297
• 分子量: 364.142
• InChiKey: WRLLBTKDSCJOBL-UHFFFAOYSA-N

物化性质

• 熔点：
  77-80 °C(lit.)
• 沸点：
  110 °C / 1.5mmHg
• 密度：
  1.6108 (estimate)
• 稳定性/保质期：
  常温常压下稳定，可与氧化物发生反应。

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  11

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S22,S24/25
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2906299090
• 危险类别：
  IRRITANT

SDS

Name:	Decafluorobenzhydrol 97+% Material Safety Data Sheet
Synonym:	None known
CAS:	1766-76-3

Section 1 - Chemical Product MSDS Name:Decafluorobenzhydrol 97+% Material Safety Data Sheet
Synonym:None known

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1766-76-3	Decafluorobenzhydrol	97+	217-185-0

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

---

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. 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:

---

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 agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

---

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.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

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# 1766-76-3: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 77.00 - 80.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H2F10O
Molecular Weight: 364.13

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Acids, acid chlorides, acid anhydrides, oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1766-76-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Decafluorobenzhydrol - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

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.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 1766-76-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1766-76-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1766-76-3 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  十氟二苯甲醇 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 生成 全氟二苯甲酮
  参考文献：
  名称：

  未活化 α-支化硝基烷烃的有机催化迈克尔加成得到光学活性叔硝基化合物

  摘要：

  未活化 α-支化硝基烷烃的直接、不对称共轭加成是基于手性胺/脲醛胺双功能催化剂和可调丙烯酸酯模板的组合使用而开发的，可提供 55-80% 分离产率和高对映选择性（呃高达 96）的叔硝基化合物。 ：4）。由此获得的加合物中酮醇部分的精制不仅可以快速进入羧酸和醛衍生物，还可以快速进入腈化合物和对映体富集的5,5-二取代的γ-内酰胺。

  DOI：

  10.1021/acs.orglett.3c03340
• 作为产物：
  描述：

  溴五氟苯 生成 十氟二苯甲醇
  参考文献：
  名称：

  173.芳族多氟化合物。第八部分 五氟苯甲醛及相关的五氟苯基酮和羧酸

  摘要：

  DOI：

  10.1039/jr9610000808

文献信息

• H₂ activation by a highly electron-deficient aralkylated organoborane
  作者：Peter J. Hill、Thomas J. Herrington、Nicholas H. Rees、Andrew J. P. White、Andrew E. Ashley

  DOI：10.1039/c5dt00821b

  日期：——

  The electron-deficient and sterically bulky trialkylborane derivative tris[bis(pentafluorophenyl)methyl]borane [1, B(CH(C6F5)2)3], has been synthesised and comprehensively characterised; detailed 1H and 19F NMR studies reveal two dynamic bond rotational processes in the solution phase. Despite conventional probes (Gutmann–Beckett and Childs methods) implying that the compound has a very limited Lewis

  合成并综合表征了缺电子且空间庞大的三烷基硼烷衍生物三[双（五氟苯基）甲基]硼烷[ 1，B（CH（C 6 F 5）2）3 ]。1 H和19 F NMR的详细研究揭示了溶液相中的两个动态键旋转过程。尽管常规探针（Gutmann–Beckett和Childs方法）暗示该化合物的路易斯酸度非常有限，但仍可用于生成能够在醚溶液中杂化活化H 2的失意的Lewis对，这表明1的亲水性可与强路易斯酸B（C6 F 5） 3。
• Diastereoselective hydroalkylation of aryl alkenes enabled by Remote hydride transfer
  作者：Dhika Aditya Gandamana、Fabien Gagosz、Shunsuke Chiba

  DOI：10.1016/j.tet.2020.131272

  日期：2020.12

  Leveraging of 1,5-hydride shift enabled diastereoselective hydroalkylation of aryl alkenes, allowing for construction of consecutive vicinal stereogenic centers in a single process. The transformation is triggered by electrophilic alkylation of aryl alkenes with in-situ generated carbocations, that is followed by diastereoselective 1,5-hydride shift to the resulting benzylic carbocation through a rigid

  利用1，5-氢化物转移可实现芳基烯烃的非对映选择性加氢烷基化，从而允许在单个过程中构建连续的邻近立体异构中心。该转化是通过芳基烯烃的亲电烷基化与原位生成的碳正离子引发的，随后非对映选择性的1，5-氢化物通过刚性的6元环椅状过渡态转变为所得的苄基碳正离子。
• [EN] BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS<br/>[FR] COMPLEXES DE ZIRCONIUM DE BISINDENYLE UTILISABLES POUR LA POLYMERISATION D'OLEFINES
  申请人：BASELL POLYOLEFINE GMBH

  公开号：WO2004106351A1

  公开（公告）日：2004-12-09

  The present invention relates to organometallic transition metal compounds of the formula (I); biscyclopentadienyl ligand systems having such a substitution pattern, catalyst systems comprising at least one of the organometallic transition metal compounds of the present invention, a process for preparing polyolefins by polymerization or copolymerization of at least one olefin in the presence of one of the catalyst systems of the present invention and also the use of the biscyclopentadienyl ligand systems of the present invention for preparing organometallic transition metal compounds.

  本发明涉及具有以下结构的有机金属过渡金属化合物（I）；具有这种取代模式的双环戊二烯基配体系统，包括本发明的有机金属过渡金属化合物中至少一种的催化剂系统，通过在本发明的催化剂系统的存在下聚合或共聚至少一种烯烃来制备聚烯烃的方法，以及使用本发明的双环戊二烯基配体系统来制备有机金属过渡金属化合物。
• Kinetic hydricity of silane hydrides in the gas phase
  作者：Jiahui Xu、Allison E. Krajewski、Yijie Niu、G. S. M. Kiruba、Jeehiun K. Lee

  DOI：10.1039/c9sc02118c

  日期：——

  Herein, gas phase studies of the kinetic hydricity of a series of silane hydrides are described. An understanding of hydricity is important as hydride reactions figure largely in many processes, including organic synthesis, photoelectrocatalysis, and hydrogen activation. We find that hydricity trends in the gas phase differ from those in solution, revealing the effect of solvent. Calculations and further

  在此，描述了一系列硅烷氢化物的动力学水合的气相研究。由于在许多过程中，包括有机合成，光电催化和氢活化在内的许多过程中，氢化物反应都非常重要，因此了解水合性非常重要。我们发现气相中的水合趋势与溶液中的水合趋势不同，从而揭示了溶剂的作用。计算和进一步的实验，包括H / D研究，被用来研究反应物的反应性和结构。这些研究也代表了在没有溶剂的情况下系统地了解亲核性和亲电性的第一步。
• [EN] MONOCYCLOPENTADIENYL COMPLEXES<br/>[FR] COMPLEXES DE MONOCYCLOPENTADIENYLE
  申请人：BASELL POLYOLEFINE GMBH

  公开号：WO2005058928A1

  公开（公告）日：2005-06-30

  Monocyclopentadienyl complexes in which the cyclopentadienyl system bears at least one bridged donor and at least one aryl group and a catalyst system comprising at least one of the monocyclopentad ienyl complexes, and also processes for preparing them, the use of the catalyst system for the polymerization or copolymerization of olefins and a process for preparing polyole­ fins by polymerization or copolymerization of olefins in the presence of the catalyst system and the preparation of the associated cyclopentadienyl system.

  环戊二烯基配合物中，环戊二烯基系统至少带有一个桥接给体和至少一个芳基，以及包括至少一种环戊二烯基配合物的催化剂体系，以及用于制备它们的方法，催化剂体系的用途用于烯烃的聚合或共聚合，以及通过在催化剂体系存在下对烯烃进行聚合或共聚合来制备聚烯烃的方法，以及相关环戊二烯基系统的制备。

表征谱图