2-溴-七氟萘 | 27041-17-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2-溴-七氟萘
• 中文别名: 2-溴七氟萘
• 英文名称: 2-bromoheptafluoronaphthalene
• 英文别名: 2-bromo-1,3,4,5,6,7,8-heptafluoronaphthalene；2-Brom-heptafluornaphthalin
• CAS: 27041-17-4
• 化学式: C₁₀BrF₇
• 分子量: 333.003
• InChiKey: PMTDLHCXDWASRN-UHFFFAOYSA-N

物化性质

• 沸点：
  283.6±35.0 °C(Predicted)
• 密度：
  1.968±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2903999090
• 储存条件：
  室温

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2-Bromoheptafluoronaphthalene
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-Bromoheptafluoronaphthalene
CAS number: 27041-17-4

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C10BrF7
Molecular weight: 333.0

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride, hydrogen bromide.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-溴-七氟萘 在 正丁基锂 、 三氯化硼 作用下， 以 hexanes 、 乙醚 、 正庚烷 为溶剂， 反应 0.7h， 生成 lithium tetrakis(heptafluoronaphthalenyl)borate
  参考文献：
  名称：

  WO2007/70770

  摘要：

  公开号：
• 作为产物：
  描述：

  1,3,4,5,6,7,8-heptafluoronaphthalene 在 Mg(TMP)2*2LiBr 、 溴 作用下， 以 四氢呋喃 为溶剂， 以93 %的产率得到2-溴-七氟萘
  参考文献：
  名称：

  全氟卤代萘：合成、晶体结构和分子间相互作用

  摘要：

  全氟卤代萘 (PFXNaPs) 是一种独特的小分子，由于在萘环上引入了多个 F 原子，因此具有展现新型 σ 孔和 π 孔键合的巨大潜力。在本研究中，我们开发了 PFXNaP 的合成方案，进行晶体工程研究，并通过 π 孔和 σ 孔键合探索 PFXNaP 的分子间相互作用。我们利用镁酰胺介导的缺电子 F 7和 F 6萘的卤化反应成功合成了 PFXNaPs，并取得了良好的收率。3,6-I 2 F 6萘的晶体结构分析揭示了萘环中两个 C 原子之间的分子间 π 空穴堆积，涉及与两个 I 原子的 σ 空穴键合。这种分子间相互作用模式在之前的报道中并未被分类。计算研究表明，与相应的苯分子相比，PFXNaPs 中的 π 空穴键合显着增强，且不减弱 σ 空穴键合。PFXNaPs 中独特的堆积相互作用主要受静电相互作用和色散校正能量控制，其中 C⋯C 接触的贡献比苯类似物大 10 倍。该结果使得PFXNaPs

  DOI：

  10.1039/d3ce01124k

文献信息

• Fluorine-containing Diethynyl Aryl Derivatives for n-Channel Organic Field-effect Transistors
  作者：Kimiaki Kashiwagi、Takeshi Yasuda、Tetsuo Tsutsui

  DOI：10.1246/cl.2007.1194

  日期：2007.10.5

  Fluorine-containing diethynyl aryl derivatives (1–5), in which three aromatic rings were connected together with rigid acetylenic linkages, were synthesized for n-channel organic field-effect transistors. The field-effect electron mobility of the thin film of 2 exhibited 3.4×10−3 cm2 V−1 s−1.

  含氟二乙炔基芳基衍生物（1–5），其中三个芳环通过刚性乙炔键连接在一起，被合成用于n型有机场效应晶体管。化合物2的薄膜的场效应电子迁移率为3.4×10−3 cm2 V−1 s−1。
• Partially fluorinated heterocyclic compounds Part 28 [1]. The hydrolysis of 1,3,4,5,6,7,8-heptafluoro-2-naphthylidenerhodanine to form ring-fused thiophenes. A significant proportion of a linear naphtho[2, 3-b]thiophene derivative accompanying an angular naphtho[1, 2-b]thiophen derivative
  作者：Gerald M. Brooke、Jeremy M. Meara

  DOI：10.1016/s0022-1139(00)80498-4

  日期：1990.11

  of the linearly cyclised product accompanying the angularly cyclised product. Decarboxylation of the mixture of (11) and (12) gave 4,5,6,7,8,9-hexafluoronaphtho[2, 3-b]thiophene (13) and 4,5,6,7,8,9-hexafluoronaphtho[1, 2-b]thiophene (14) respectively, while treatment of the mixture of (11) and (12) with diazomethane gave an inseparable mixture of the methyl 2-carboxylates (15) and (16) respectively

  1,3-，4,5,6,7,8-七氟萘-2-甲醛（7），通过格氏反应由2-溴-1,3,4,5,6,7,8-七氟萘（9）制备）与N-甲基甲酰苯胺，与若丹宁反应，得到1,3,4,5,6,7,8-七氟-2-2-萘并金丝氨酸（5）。用碱水解（5），得到4,5,6,7,8,9-六氟萘并[2,3-b]噻吩-2-羧酸（11）和4,5,6,7,8的混合物由中间体硫醇盐（6）分别以22:78的比例取代萘环中3和1位的氟而生成的1,9-六氟萘[1,2-b]噻吩-2-羧酸（12）伴随成角度环化产物的线性环化产物的比例很高。（11）和（12）的混合物脱羧得到4,5,6,7,8,9-六氟萘并[2,3-b]噻吩（13）和4,5,6,7,8,9-六氟萘[1，
• New Organo-Lewis Acids. Tris(β-perfluoronaphthyl)borane (PNB) as a Highly Active Cocatalyst for Metallocene-Mediated Ziegler−Natta α-Olefin Polymerization
  作者：Liting Li、Tobin J. Marks

  DOI：10.1021/om980229b

  日期：1998.8.1

  NB- (4) is formed when a 2:1 CGCTiMe2:PNB stoichiometry is employed. In the case of group 4 dimethyl zirconocenes, L2ZrMe2 (L = η5-C5H5, Cp; η5-1,2-Me2C5H3, Cp‘‘), reaction in a 1:1 metallocene:PNB ratio affords cationic complexes L2ZrMe+MePNB- (L = Cp, 5; Cp‘‘, 6), while the reaction with a 1:2 molar ratio affords dinuclear μ-methyl cationic complexes [(L2ZrMe)2(μ-Me)]+MePNB- (L = Cp, 7; Cp‘‘, 8)

  三（β-全氟萘基）硼烷（B（C 10 F 7）3，PNB）是由β-全氟萘基锂和BCl 3合成的，用作新型强有机路易斯酸助催化剂。PNB有效地活化了各种第4组二甲基配合物，从而形成了高活性的均相齐格勒-纳塔烯烃聚合催化剂。与PNB的反应外消旋-Me 2的Si（茚基）2 ZrMe 2和CGCMMe 2（M =锆，钛; CGC =我2的Si（η 5 -Me 4 Ç 5）（吨BUN））（1：1分摩尔比）迅速产生游离碱阳离子络合物外消旋-Me 2的Si（茚基）2 ZrMe + MePNB - （1）和CGCMMe + MePNB -（M =锆，2 ;钛，3） ， 分别。μ-甲基双核的阳离子配合物[（CGCTiMe）2（μ-Me）中] + MePNB - （4）被形成时，一个2：1 CGCTiMe 2：PNB化学计量使用。在组4二甲基二茂锆的情况下，L 2 ZrMe 2（L =η 5 -C 5 H ^5，Cp;
• Methods and compounds for making coatings, waveguides and other optical devices
  申请人：——

  公开号：US20030162985A1

  公开（公告）日：2003-08-28

  A compound of the general formula R 1 R 2 MR 4 R 5 is disclosed wherein R 1 and R 2 are independently an aryl, alkyl, alkenyl, epoxy or alkynyl group, wherein at least one of R 1 and R 2 is fully or partially fluorinated, wherein M is selected from group 14 of the periodic table, wherein R 4 and R 5 are independently an alkoxy group, OR 3 , or a halogen group, X, except where M is Si, R 4 and R 5 are both ethoxy groups or both chlorine groups, and R 1 and R 2 are perfluorinated groups. This compound formed can be further reacted to attach an additional organic R group, and/or hydrolyzed, alone or with one or more similar compounds, to form a material having a molecular weight of from 500 to 10,000, which material can be deposited on various substrates as a coating or deposited and patterned for a waveguide or other optical device components. Methods for making compounds of the general formula R 1 MR 4 R 5 R 6 are also disclosed.

  揭示了一种通用公式为R1R2MR4R5的化合物，其中R1和R2分别是芳基、烷基、烯基、环氧基或炔基，其中至少一个R1和R2是全氟化或部分氟化的，其中M选自周期表的14族元素，其中R4和R5分别是烷氧基、OR3或卤素基X，除非M是硅，否则R4和R5都是乙氧基或氯基，而R1和R2是全氟化基团。形成的这种化合物可以进一步反应以连接额外的有机R基团，并/或水解，单独或与一个或多个类似化合物一起，形成分子量为500至10,000的材料，该材料可以沉积在各种基底上作为涂层，或沉积并加工成波导或其他光学器件组件的图案。还揭示了制备通用公式为R1MR4R5R6的化合物的方法。
• [EN] NON-COORDINATING ANION ACTIVATORS CONTAINING A CATION WITH LONG CHAIN ALKOXY FUNCTIONALIZATION<br/>[FR] ACTIVATEURS ANIONIQUES NON COORDONNANTS CONTENANT UN CATION À FONCTIONNALISATION ALCOXY À LONGUE CHAÎNE
  申请人：EXXONMOBIL CHEMICAL PATENTS INC

  公开号：WO2021086467A1

  公开（公告）日：2021-05-06

  Activators may comprise compounds represented by the Formula [Ar(EHR1R2)(OR3)]d+[Mk+Qn]d, wherein: Ar is an aryl group; E is nitrogen or phosphorous; R1 is a C1-C30, optionally substituted, linear alkyl group; R2 is a C1-C30, optionally substituted, linear alkyl group; R3 is a C10-C30, optionally substituted, linear alkyl group; M is an element selected from group 13 of the Periodic Table of the Elements; d is 1, 2 or 3; k is 1, 2, or 3; n is 1, 2, 3, 4, 5, or 6; n - k = d; and each Q is independently hydride, bridged or unbridged dialkylamido, halide, alkoxide, aryloxide, hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, or halosubstituted-hydrocarbyl radical. Catalysts systems may comprise these activators and methods of preparing polyolefins may use these catalysts systems.

  激活剂可能包括由公式[Ar(EHR1R2)(OR3)]d+[Mk+Qn]d所代表的化合物，其中：Ar是芳基团；E是氮或磷；R1是C1-C30的、可选择地取代的、直链烷基基团；R2是C1-C30的、可选择地取代的、直链烷基基团；R3是C10-C30的、可选择地取代的、直链烷基基团；M是周期表元素第13族中选择的元素；d为1、2或3；k为1、2或3；n为1、2、3、4、5或6；n - k = d；每个Q独立地是氢化物、桥联或非桥联的二烷基胺基、卤化物、烷氧基、芳氧基、烃基、取代烃基、卤代烃基、取代卤代烃基或卤代取代烃基基团。催化剂系统可能包括这些激活剂，制备聚烯烃的方法可能使用这些催化剂系统。