sodium perfluorooctanoate | 335-95-5

• 物质功能分类: 无机化工 - 无机盐 - 金属卤化物及卤酸盐
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: sodium perfluorooctanoate
• 英文别名: sodium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
• CAS: 335-95-5
• 化学式: C₈F₁₅O₂*Na
• 分子量: 436.053
• InChiKey: LWHQXUODFPPQTL-UHFFFAOYSA-M

物化性质

• 熔点：
  277-280°C (dec.)

计算性质

• 辛醇/水分配系数(LogP)：
  0.11
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  17

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2915900090
• 储存条件：
  | 室温 |

SDS

---

Section 1: Product Identification
Chemical Name: Perfluorooctanoic acid, sodiumsalt
CAS Registry Number: 335-95-5
Formula: NaOOC(CF2)6CF3
EINECS Number: 206-404-5
Chemical Family: organofluorine compounds
Synonym: Sodium pentadecafluorooctanoate

---

Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 335-95-5 100% 2.5mg/m3 (as F) 2.5mg/m3 (as F)

---

Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.
Primary Routes of Exposure: Ingestion, Inhalation of dust.
Eye Contact: Irritating to eyes. May cause redness and pain.
Skin Contact: Irritating to skin. May cause itching and redness.
Inhalation: Inhalation of dust can lead to irritation of the respiratory tract, causing coughing and sore throat.
Ingestion: No specific information is available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects: May be irritating to skin, eyes and mucous membranes. May be harmful if swallowed.
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

---

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 in
Inhalation:
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.

---

SECTION 5: Fire Fighting Measures
Flash Point: no data
Autoignition Temperature: no data
Explosion Limits: no data
Extinguishing Medium: dry chemical, carbon dioxide, water fog, 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 toxic organic fumes and corrosive hydrogen fluoride.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

---

SECTION 6: Accidental Release Measures
Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
Spill and Leak Procedures:
swept up.

---

SECTION 7: Handling and Storage
Handling and Storage: Store the material in a tightly sealed container in a cool, dry place.

---

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 appropriate chemical resistant gloves and clothing.
Ventilation: Material may form a fine dust. If possible, handle the material in an efficient fume hood.
If in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
Respirator:
requires a Respirator Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Material may form a fine dust. If possible, handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

---

SECTION 9: Physical and Chemical Properties
Color and Form: off-white powder
Molecular Weight: 436.05
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: slightly soluble

---

SECTION 10: Stability and Reactivity
Stability: air and moisture stable
Hazardous Polymerization: No hazardous polymerization
Conditions to Avoid: none
Incompatibility: active metals
Decomposition Products: carbon monoxide, carbon dioxide, sodium fluoride, hydrogen fluoride and fluorinated organics

---

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

---

SECTION 12: Ecological Information
Ecological Information: No information available

---

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

---

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

---

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

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

1956年，美国3M公司首次推出了名为Fluorad的氟表面活性剂。碳氢链上的氢原子被氟原子取代形成了碳氟链，带有这种碳氟链疏水基团的表面活性剂被称为氟表面活性剂。常见的氟表面活性剂中，其碳链上的所有氢原子都被氟原子替代，例如全氟辛酸钠。

与传统表面活性剂相比，含氟表面活性剂的主要区别在于其疏水性碳氟链。这些独特性能很大程度上取决于碳氟链的性质。除了表现出对水的表面活性外，它们还能在各种溶剂中显示出表面活性。全氟碳链既憎水又憎油，缺乏与烃类物质的相容性，因此无论是固体还是液体，在不同介质中都能形成胶束、微胞等分子聚集体，并具有在表面定向排列的能力。迄今为止，含氟表面活性剂依然保持着最高的表面活性。

反应信息

• 作为反应物：
  描述：

  sodium perfluorooctanoate 在 硫酸 作用下， 以84%的产率得到全氟辛酸
  参考文献：
  名称：

  一种制备全氟羧酸的新方法

  摘要：

  伯全氟烷基碘化物和含3到12个碳原子的溴化物[CF 3（CF 2）n X，n = 2 -11，X = Br，I]与Rongalite-NaHCO 3试剂在偶极非质子传递溶剂中的反应，例如DMF或DMSO，已经过调查。反应以51-86％的收率得到全氟羧酸钠[CF 3（CF 2）n-1 CO 2 Na，n ＝ 2〜11]，并将它们转化为相应的全氟羧酸[CF 3（CF 2）n- 1 CO 2H，n = 2 11]通过硫酸处理。这提供了合成全氟羧酸的新方法。

  DOI：

  10.1016/s0022-1139(00)82053-9
• 作为产物：
  描述：

  全氟辛酸 在 sodium hydroxide 作用下， 生成 sodium perfluorooctanoate
  参考文献：
  名称：

  源自三氟氯乙烯的液体。一，模型化合物的合成

  摘要：

  制备了一系列在相邻碳原子上具有氯的氯氟烷烃，即nC 5 F 11 CFClCCl 3，nC 6 F 13 CFClCCl 3，nC 5 F 11 CFClCFCl 2，nC 6 F 13 CFClCFCl 2，nC 5 F 11 CFClCF 2 Cl ，nC 2 F 5 CFClCFClC 3 F 7和n-CF 3 CFClCFClC 4 F 9通过卤素交换，脱卤和氯加成反应的组合。在存在汞的情况下，通过在紫外线辐射下将nC 6 F 13 CFClI与过量的ICF 2 CFCl 2偶联来合成nC 6 F 13 CFClCF 2 CFCl 2的尝试，仅给出了nC 6 F 13 CFClCFClCC 6 F 13和CFCl的合成。2 CF 2 CF 2 CFCl 2。在nC 6 F 13 CFClI和CF 2的平行条件下以48％的产率获得ClCFClI，n-C 6 F 13 CFClCFClCF

  DOI：

  10.1016/s0022-1139(00)82355-6
• 作为试剂：
  描述：

  N-甲硫脲 在 sodium nitrate 、 [palladium(II)(aquo)(1,1,7,7-tetraethyldiethylenetriamine)](2+) 、 sodium perfluorooctanoate 、 硝酸 作用下， 以 水 为溶剂， 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  碳氟化合物和碳氢化合物阴离子微团对单烷基硫脲在1,1,7,7-四乙基二亚乙基三胺钯（II）络合物中水置换动力学的影响

  摘要：

  全氟辛酸钠（NaPFO），全氟壬酸钠（NaPFN）和癸基硫酸钠（SDeS）胶束对阳离子钯（II）配合物[Pd（Et 4 dien）（H 2 O）] 2中水置换动力学的影响+，其中Et 4 dien = Et 2 N（CH 2）2 NH（CH 2）2 NEt 2，已通过亲核试剂甲基，乙基和丁基硫脲在25°C的酸性水溶液中和离子强度为0.03 mol的条件下进行了研究。 dm –3（0.06 mol dm –3与SDeS）。胶束聚集体促进取代反应达到最大速率，刚好超过临界胶束浓度，该临界胶束浓度已通过表面张力和电导率测量进行了实验评估。根据当前动力学数据计算的亲核试剂的结合常数，以及先前在十二烷基硫酸钠（SDS）存在下获得的亲和常数，表明胶束溶解硫脲的能力按以下顺序增加：SDeS

  DOI：

  10.1039/ft9969202263

文献信息

• Method for regenerating basic anion-exchange resin
  申请人：Asahi Glass Company, Limited

  公开号：US07622608B2

  公开（公告）日：2009-11-24

  A simple and efficient method for regenerating a basic anion-exchange resin, whereby at the time of removing a fluorinated emulsifier from a basic anion-exchange resin having the fluorinated emulsifier adsorbed thereon, it is unnecessary to provide a safety device/recovery technique necessary for handling an organic solvent by the use of a combustible organic solvent represented by an alcohol, and a burden imposed by e.g. treatment against COD load, is eliminated. A basic anion-exchange resin having a fluorinated emulsifier adsorbed thereon is contacted with an aqueous alkaline solution having a temperature of from 60 to 105° C. to elute the fluorinated emulsifier thereby to regenerate the basic anion-exchange resin.

  一种简单高效的方法用于再生碱性阴离子交换树脂，其通过使用一种可燃性有机溶剂，如醇类，从具有吸附氟化乳化剂的碱性阴离子交换树脂中去除氟化乳化剂，无需提供处理有机溶剂的安全设备/回收技术，同时消除了处理COD负荷等负担。具体方法是将具有吸附氟化乳化剂的碱性阴离子交换树脂与温度为60至105℃的碱性水溶液接触，以洗脱氟化乳化剂，从而再生碱性阴离子交换树脂。
• Halogen fluorosulfate reactions with fluorocarbons
  作者：Carl J. Shack、K.O. Christe

  DOI：10.1016/s0022-1139(00)85149-0

  日期：1980.7

  reaction of simple fluorocarbon halides with chlorine fluorosulfate and mixtures of chlorine and bromine fluorosulfate to produce RfOSO2F compounds has been investigated. It is shown that in many cases even primary chlorine in -CF2Cl groups can be replaced by -OSO2F, Primary bromine or iodine in -CF2X are more readily replaced. The mechanism of this replacement reaction has been established by the isolation

  研究了简单的氟碳卤化物与氟代硫酸氯以及氯和溴代硫酸氟的混合物生成R f OSO 2 F化合物的反应范围。结果表明，在许多情况下，即使-CF 2 Cl基团中的伯氯也可以被-OSO 2 F取代，-CF 2 X中的伯溴或碘更容易被取代。这种置换反应的机理是通过分离亚稳碘Ⅲ中间体R f I（OSO 2 F）2来建立的。-CFX-基团中的仲氯或溴均不受影响。使用二次碘化物iC 3 F 7I，形成盐[（iC 3 F 7）2 I] + [I（OSO 2 F）4 ] -。此外，已经发现ClOSO 2 F能够将碳氟酸或其衍生物转化为碳氟卤化物。这两种ClOSO 2 F反应与已知的R f CF 2 OSO 2 F转化为相应的氟碳酸的组合可根据以下方式为其他未反应的氟碳卤化物提供新颖的高产链缩短反应：
• Syntheses and Reactions of Metal Organics. XVI. Synthesis and Hydrolysis of Dimethoxysilanediyl Bis(polyfluoroalkanoate)
  作者：Norio Yoshino、Shin-ichi Tominaga、Hidefumi Hirai

  DOI：10.1246/bcsj.64.2735

  日期：1991.9

  Four new silicon compounds, dimethoxysilanediyl bis(5H-octafluoropentanoate), (CH3O)2Si[OCO(CF2)4H]2, dimethoxysilanediyl bis(7H-dodecafluoroheptanoate), (CH3O)2Si[OCO(CF2)6H]2, dimethoxysilanediyl bis(9H-hexadecafluorononanoate), (CH3O)2Si[OCO(CF2)8H]2, and dimethoxysilanediyl bis(pentadecafluorooctanoate), (CH3O)2Si[OCO(CF2)6CF3]2, were prepared by the reaction of dichlorodimethoxysilane with sodium

  四种新型硅化合物，二甲氧基硅烷二基双(5H-八氟戊酸酯)、(CH3O)2Si[OCO(CF2)4H]2、二甲氧基硅烷二基双(7H-十二氟庚酸酯)、(CH3O)2Si[OCO(CF2)6H]2、二甲氧基硅烷二基双( 9H-十六氟壬酸酯)、(CH3O)2Si[OCO(CF2)8H]2 和二甲氧基硅烷二基双（十五氟辛酸酯）、(CH3O)2Si[OCO(CF2)6CF3]2，是通过二氯二甲氧基硅烷与氟的钠盐反应制备的-取代的羧酸。获得了这些硅化合物的1H NMR、13C NMR和19F NMR和IR光谱数据。在通过使用 1 H NMR 光谱测量研究硅化合物抗水解稳定性的过程中，发现 SiOCOR 和 SiOCH 3 部分的水解容易程度完全相同。
• Syntheses of Anionic Surfactants Having Two Polyfluoroalkyl Chains and Their Flocculation Ability for Dispersed Magnetite Particles in Water
  作者：Norio Yoshino、Noboru Komine、Jun-ichi Suzuki、Yuki Arima、Hidefumi Hirai

  DOI：10.1246/bcsj.64.3262

  日期：1991.11

  salt of bis(1H,1H,2H,2H-heptadecafluorodecyl) 2-sulfosuccinate, CF3(CF2)7(CH2)2OCOCH2CH(SO3Na)COO(CH2)2(CF2)7CF3, sodium salt of bis(1H,1H,9H-hexadecafruorononyl) 2-sulfosuccinate, H(CF2)8CH2OCOCH2CH(SO3Na)COOCH2(CF2)8H, sodium salt of bis(1H,1H,7H-dodecafluoroheptyl) 2-sulfosuccinate, H(CF2)6CH2OCOCH2CH(SO3Na)COOCH2(CF2)6H and sodium salt of bis(1H,1H,5H-octafluoropentyl) 2-sulfosuccinate, H(CF2)4CH2

  这些表面活性剂对水中分散的磁铁矿颗粒的絮凝和再分散能力已与其他四种在分子中具有单个多氟烷基链的阴离子表面活性剂进行了比较；十五氟辛酸钠、CF3(CF2)6COONa、9H-十六氟壬酸钠、H(CF2)8COONa、7H-十二氟庚酸钠、H(CF2)6COONa、...
• Syntheses of Titanium Butoxide Tris(polyfluoroalkanoate) and Surface Modification of Calcium Carbonate
  作者：Norio Yoshino、Yukihide Shiraishi、Hidefumi Hirai

  DOI：10.1246/bcsj.64.1648

  日期：1991.5

  Titanium butoxide tris(5H-octafluoropentanoate), Ti(OnC4H9)[OCO(CF2)4H]3, titanium butoxide tris(7H-undecafluoroheptanoate), Ti(OnC4H9)[OCO(CF2)6H]3, titanium butoxide tris(9H-hexadecafluorononanoate), Ti(OnC4H9)[OCO(CF2)8H]3, and titanium butoxide tris(perfluorooctanoate), Ti(OnC4H9)[OCO(CF2)6CF3]3, were prepared by the reaction of titanium butoxide trichloride with sodium fluoro-substituted acylates in 1,1,2-trichloro-1,2,2-trifluoroethane. These compounds were characterized on the basis of elemental analysis as well as their IR, 1H NMR, 13C NMR, and 19F NMR spectra. In the compounds produced, a Ti–OCO bond was stable in water, although a Ti–OR bond was only moderately stable in water. A surface modification against calcium carbonate was attempted by using these products. From measurements of the contact angles θ(°) of water and toluene against a modified calcium carbonate surface, titanium butoxide tris(perfluorooctanoate) was found to be an effective substance for a new-type coupling agent, which increases the affinity between organofluoro polymers and some inorganic substances.

  三(5H-八氟戊酸)丁醇钛、Ti(OnC4H9)[OCO(CF2)4H]3、三(7H-十一氟庚酸)丁醇钛、Ti(OnC4H9)[OCO(CF2)6H]3、三(9H-丁醇钛)十六氟壬酸酯）、Ti(OnC4H9)[OCO(CF2)8H]3 和钛丁氧基三(全氟辛酸)，Ti(OnC4H9)[OCO(CF2)6CF3]3，由三氯化丁氧基钛与氟取代酰化钠在1,1,2-三氯-1,2,2-三氟乙烷中反应制备。这些化合物基于元素分析及其IR、1H NMR、13C NMR 和19F NMR 谱进行了表征。在生成的化合物中，Ti-OCO 键在水中稳定，而 Ti-OR 键在水中仅具有中等稳定性。通过使用这些产品尝试对碳酸钙进行表面改性。通过测量水和甲苯对改性碳酸钙表面的接触角θ(°)，发现丁醇钛三(全氟辛酸酯)是新型偶联剂的有效物质，它增加了有机氟聚合物和有机氟聚合物之间的亲和力。一些无机物。