三环己基膦三氟甲烷磺酸 | 952649-12-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 三环己基膦三氟甲烷磺酸
• 英文名称: tricyclohexylphosphonium trifluoromethanesulfonate
• 英文别名: Tricyclohexylphosphoniumtrifluoromethanesulfonate；tricyclohexylphosphane;trifluoromethanesulfonic acid
• CAS: 952649-12-6
• 化学式: CHF₃O₃S*C₁₈H₃₃P
• 分子量: 430.512
• InChiKey: HIELZYUTOPSKJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.25
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  6

SDS

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Section 1: Product Identification
Chemical Name: Tricyclohexylphosphonium trifluoromethanesulfonate, 99% Stabiphos
CAS Registry Number: 952649-12-6
Formula: [(C6H11)3PH]+CF3SO3-
EINECS Number: none
Chemical Family: organophosphine salt
Synonym: Stabiphos

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 952649-12-6 100% 2.5 mg/m3 (as F) 2.5 mg/m3 (as F)

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure: Ingestion, inhalation
Eye Contact: Causes slight to mild irritation of the eyes.
Skin Contact: Causes slight to mild irritation of the skin.
Inhalation: Irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No information available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
Product contains fluorine which under certain conditions of use, decomposition, or metabolism, may generate
Chronic Health Affects: fluoride ion, causing, nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth
structure, kidney and liver damage.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: no data
Autoignition Temperature: no data
Explosion Limits: no data
Extinguishing Medium: carbon dioxide, dry powder or foam
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit irritating fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Small spills can be mixed with vermiculite or sodium carbonate and swept up.

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SECTION 7: Handling and Storage
Handling and Storage: Store in a tightly sealed container. Keep in a cool, dry, well-ventilated place.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves.
Ventilation: Handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: white solid
Molecular Weight: 430.51
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: soluble

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: strong oxidizing agents
Decomposition Products: carbon monoxide, hydrogen fluoride, sulfur oxides and phosphorus oxides

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: no data
Mutagenic Effects: no data
Tetratogenic Effects: no data

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Non-hazardous
Hazard Class (CFR): NA
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): NA
Shipping Name (IATA): Non-hazardous
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory
SARA (Title 313): Title compound not listed
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  三环己基膦三氟甲烷磺酸 在 potassium graphite 、 C₂₄H₄₃FeN₂P₂ 作用下， 以 乙醚 为溶剂， -78.0~20.0 ℃ 、101.33 kPa 条件下， 生成 氢气
  参考文献：
  名称：

  使用带有阴离子苯基 PCP 型钳形配体的铁-二氮配合物将二氮催化还原为氨和肼

  摘要：

  在固氮酶的合成模型中，具有 Fe-C 键的铁-二氮配合物近年来引起了越来越多的关注。在这里，我们报告了由阴离子苯基 PCP 和 POCOP 型钳形配体作为碳供体支持的方形平面铁 (I)-二氮配合物的合成。这些配合物在 -78 °C 下催化二氮（1 atm）与还原剂和质子源反应生成氨和肼，产生高达 252 equiv 的氨和 68 equiv 的肼（388 equiv 的固定 N 原子) 基于催化剂的铁原子。阴离子铁（0）-二氮配合物被认为是催化反应中必不可少的活性物质，是从相应的铁（I）-二氮配合物的还原中新分离出来的。本研究使用实验和 DFT 计算检查它们的反应性。

  DOI：

  10.1246/bcsj.20220048
• 作为产物：
  描述：

  三氟甲磺酸 、 三环己基膦 以 乙醚 为溶剂， 反应 1.33h， 生成 三环己基膦三氟甲烷磺酸
  参考文献：
  名称：

  Use of phosphonium salts in coupling reactions and process for their manufacture

  摘要：

  本发明的对象是磷铵盐在偶联反应中的使用，以及它们的制备方法。

  公开号：

  EP2019107A1

文献信息

• [EN] METHOD FOR PRODUCING AMIDINE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRODUCTION DE DÉRIVÉS D'AMIDINE
  申请人：BIOCRYST PHARM INC

  公开号：WO2016029216A2

  公开（公告）日：2016-02-25

  The invention provides methods and intermediates useful in the synthesis of a compound of formula (I): or a pharmaceutically acceptable salt, solvate, ester or prodrug thereof; wherein the variables are as defined herein.

  本发明提供了用于合成式(I)化合物的方法和中间体，或其药学上可接受的盐、溶剂和前药酯；其中变量如本文所定义。
• Polymerized cycloolefins using transition metal catalyst and end products thereof
  申请人：——

  公开号：US20030181607A1

  公开（公告）日：2003-09-25

  Methods for the addition polymerization of cycloolefins using a cationic Group 10 metal complex and a weakly coordinating anion of the formula: [(R′) z M(L′) x (L″) y ] b [WCA] d wherein [(R′) z M(L′) x (L″) y ] is a cation complex where M represents a Group 10 transition metal; R′ represents an anionic hydrocarbyl containing ligand; L′ represents a Group 15 neutral electron donor ligand; L″ represents a labile neutral electron donor ligand; x is 1 or 2; and y is 0, 1, 2, or 3; and z is 0 or 1, wherein the sum of x, y, and z is 4; and [WCA] represents a weakly coordinating counteranion complex; and b and d are numbers representing the number of times the cation complex and weakly coordinating counteranion complex are taken to balance the electronic charge on the overall catalyst complex.

  使用阳离子第10族金属配合物和公式为[(R′)zM(L′)x(L″)y]b[WCA]d的弱配位阴离子的方法进行环烯烃的加成聚合，其中[(R′)zM(L′)x(L″)y]是一个阳离子配合物，M代表第10族过渡金属；R′代表含阴离子的碳氢基配体；L′代表第15族中性电子给体配体；L″代表不稳定的中性电子给体配体；x为1或2；y为0、1、2或3；z为0或1，其中x、y和z的总和为4；[WCA]代表弱配位对阴离子配合物；b和d是表示需要多少次阳离子配合物和弱配位对阴离子配合物来平衡整个催化剂配合物的电荷的数字。
• Catalyst and methods for polymerizing cycloolefins
  申请人：The B.F.Goodrich Company

  公开号：US20030023013A1

  公开（公告）日：2003-01-30

  Methods for the addition polymerization of cycloolefins using a cationic Group 10 metal complex and a weakly coordinating anion of the formula: [(R′) z M(L′) x (L″) y ] b [WCA] d wherein [(R′) z M(L′) x (L″) y ] is a cation complex where M represents a Group 10 transition metal; R′ represents an anionic hydrocarbyl containing ligand; L′ represents a Group 15 neutral electron donor ligand; L″ represents a labile neutral electron donor ligand; x is 1 or 2; and y is 0, 1, 2, or 3; and z is 0 or 1, wherein the sum of x, y, and z is 4; and [WCA] represents a weakly coordinating counteranion complex; and b and d are numbers representing the number of times the cation complex and weakly coordinating counteranion complex are taken to balance the electronic charge on the overall catalyst complex.

  使用阳离子第10族金属配合物和一个弱配位阴离子的方法进行环烯烃的加成聚合，其化学式为：[(R′)zM(L′)x(L″)y]b[WCA]d，其中 [(R′)zM(L′)x(L″)y]是一个阳离子配合物，其中M代表第10族过渡金属；R′代表含有负离荷的碳氢基配体；L′代表第15族中性电子给体配体；L″代表不稳定中性电子给体配体；x为1或2；y为0、1、2或3；z为0或1，其中x、y和z的总和为4；[WCA]代表一个弱配位的反离子配合物；b和d是代表阳离子配合物和弱配位反离子配合物被取用的次数以平衡整个催化剂复合物的电荷的数字。
• CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS
  申请人：——

  公开号：US20020052454A1

  公开（公告）日：2002-05-02

  Methods for the addition polymerization of cycloolefins using a cationic Group 10 metal complex and a weakly coordinating anion of the formula: [(R′) z M(L′) x (L″) y ] b [WCA] d wherein [(R′) z M(L′) x (L″) y ] is a cation complex where M represents a Group 10 transition metal; R′ represents an anionic hydrocarbyl containing ligand; L′ represents a Group 15 neutral electron donor ligand; L″ represents a labile neutral electron donor ligand; x is 1 or 2; and y is 0, 1, 2, or 3; and z is 0 or 1, wherein the sum of x, y, and z is 4; and [WCA] represents a weakly coordinating counteranion complex; and b and d are numbers representing the number of times the cation complex and weakly coordinating counteranion complex are taken to balance the electronic charge on the overall catalyst complex.

  使用阳离子第10族金属配合物和公式为[(R′)zM(L′)x(L″)y]b和[WCA]d的弱配位阴离子的方法，进行环烯烃的加成聚合。其中[(R′)zM(L′)x(L″)y]是阳离子配合物，其中M代表第10族过渡金属；R′代表含负离子的碳氢基配体；L′代表第15族中性电子给体配体；L″代表不稳定的中性电子给体配体；x为1或2；y为0、1、2或3；z为0或1，其中x、y和z的总和为4；[WCA]代表弱配位对阴离子配合物；b和d是表示需要取多少次阳离子配合物和弱配位对阴离子配合物以平衡催化剂整体电荷的数字。
• USE OF PHOSPHONIUM SALTS IN COUPLING REACTIONS AND PROCESS FOR THEIR MANUFACTURE
  申请人：Kromm Klemenz

  公开号：US20100197969A1

  公开（公告）日：2010-08-05

  The object of the present invention is the use of phosphonium salts in coupling reactions, and a method for their preparation.

  本发明的对象是在偶联反应中使用磷酸铵盐以及它们的制备方法。