9H-十六氟壬酸 | 76-21-1

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 9H-十六氟壬酸
• 英文名称: 9H-hexadecafluorononanoic acid
• 英文别名: 9H-hexadecafluoro-nonanoic acid；9H-Hexadecafluor-nonansaeure；2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-oic acid；ω-hydroperfluorononylic acid；2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluor-nonansaeure；ω-Hydro-perfluornonansaeure；2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoic acid
• CAS: 76-21-1
• 化学式: C₉H₂F₁₆O₂
• mdl: MFCD00054701
• 分子量: 446.088
• InChiKey: RARQGXBOCXOJPM-UHFFFAOYSA-N

物化性质

• 熔点：
  67 °C
• 沸点：
  123 °C
• 密度：
  1.718±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  18

安全信息

• 危险等级：
  CORROSIVE
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34
• 海关编码：
  2915900090
• 危险品运输编号：
  3261
• 储存条件：
  室温

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-
Hexadecafluorononan-1-oic acid
CAS-No. : 76-21-1
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Oral (Category 4)
Skin irritation (Category 2)
Eye irritation (Category 2)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed. Irritating to eyes and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
Precautionary statement(s)
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R22 Harmful if swallowed.
R36/38 Irritating to eyes and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C9H2F16O2
Molecular Weight : 446,09 g/mol
Component Concentration
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononan-1-oic acid
CAS-No. 76-21-1 -
EC-No. 200-944-5

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Hydrogen fluoride
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion Harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: RA6904000

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  9H-十六氟壬酸 在 氯 、 sodium fluoride 作用下， 生成 9-chloro-9H-hexadecafluoro-nonanoyl fluoride
  参考文献：
  名称：

  Synthesis and Some Novel Reactions of α,α-Dichloroperfluoroalkyl Esters

  摘要：

  DOI：

  10.1021/jo01070a074
• 作为产物：
  描述：

  1H,1H,9H-十六氟-1-壬醇 在 potassium permanganate 作用下， 生成 9H-十六氟壬酸
  参考文献：
  名称：

  氟代醇

  摘要：

  DOI：

  10.1021/ie50595a028

文献信息

• Examination of the interlayer strength of smectic liquid crystals through the study of partially fluorinated and branched fluorinated end-groups
  作者：Stephen J. Cowling、Alan W. Hall、John W. Goodby、Ying Wang、Helen F. Gleeson

  DOI：10.1039/b517913k

  日期：——

  Through the incorporation of partially fluorinated and branched fluorinated end-groups of ferroelectric liquid crystals we aimed to examine the effects on physico-chemical structures and properties, and electrical switching behaviour for a family of compounds based upon the MHPOBC motif. We show that the nature of the terminal group strongly affects the liquid crystal behaviour and the thresholds associated with electro-optic switching. In this article we present the synthesis, transition temperatures, electro-optical measurements and X-ray diffraction studies for a series of compounds.

  通过在铁电液晶中引入部分氟化和支化氟化末端基团，我们的目标是研究对基于MHPOBC骨架的一类化合物的物理化学结构、性质以及电场切换行为的影响。我们表明，末端基团的性质强烈影响液晶行为以及与电光切换相关的阈值。在这篇文章中，我们展示了系列化合物的合成、转变温度、电光测量以及X射线衍射研究。
• PROCESS FOR PRODUCING ESTER COMPOUND
  申请人：Imazeki Shigeaki

  公开号：US20100324314A1

  公开（公告）日：2010-12-23

  PROBLEM To provide an environmentally-friendly method for producing industrially an ester compound. SOLUTION The present invention is a method for producing an ester compound which comprises subjecting a carboxylic acid and an alcohol to dehydration-condensation reaction using an involatile acid catalyst and then removing the residual acid catalyst by bringing a weak basic substance into contact with the residual acid catalyst.

  问题提供一种生产工业酯化合物的环保方法。 解决方案是一种生产酯化合物的方法，包括将羧酸和醇经过脱水缩合反应，使用一种不挥发的酸催化剂，然后通过将弱碱性物质与残留的酸催化剂接触来去除残留的酸催化剂。
• Method for preparing .alpha.-substituted .omega.-hydroperfluoroalkanes
  申请人：Hoechst Aktiengesellschaft

  公开号：US05495034A1

  公开（公告）日：1996-02-27

  A method for the preparation of .alpha.-substituted .omega.-dihydroperluoroalkane derivatives of the general formula H(CF.sub.2 CF.sub.2).sub.n R wherein R=H or COOH, and n=1-10 is characterized by oxidizing .alpha., .alpha., .omega.-trihydroperfluoroalcohols with an oxygen gas or an oxygen-containing gas in the presence of a homogeneous copper catalyst and an alkaline agent in an organic solvent with subsequent isolation of the desired product.

  一种制备α-取代ω-二氢过氟烷衍生物的方法，其通式为H(CF.sub.2 CF.sub.2).sub.n R，其中R=H或COOH，n=1-10，其特征在于在有机溶剂中氧气或含氧气体的存在下，使用均相铜催化剂和碱性试剂氧化α，α，ω-三氢过氟醇，随后分离所需产物。
• 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、...
• Efficient mineralization of hydroperfluorocarboxylic acids with persulfate in hot water
  作者：Hisao Hori、Misako Murayama、Naoko Inoue、Kyoko Ishida、Shuzo Kutsuna

  DOI：10.1016/j.cattod.2010.02.023

  日期：2010.4

  corresponding PFCAs. The reaction mechanism can be explained by nucleophilic substitution by SO4− at the carbon atom attached to the ω-H atom of the H-PFCAs, followed by formation of perfluorodicarboxylic acids (HOOCCn−1F2n−2COOH), which react with SO4− to give shorter-chain perfluorodicarboxylic acids; this process eventually resulted in complete mineralization to F− ions.

  研究了过硫酸盐（S 2 O 8 2-）诱导的氢全氟羧酸（H-PFCAs），即HC n F 2 n COOH（n  = 4、6和8）的分解，将结果与全氟羧酸（PFCA）的结果进行了比较。这是有关使用热水分解H-PFCA的第一份报告，H-PFCA正在开发为对环境持久性和生物蓄积性PFCA的替代表面活性剂。尽管在没有S 2 O 8 2-的情况下，H-PFCA在80°C的热水中几乎没有分解，但添加了S 2 O 8 2-到导致高效的矿化至F反应溶液-离子，有F -产率[（F的摩尔-）/（在初始H-全氟羧酸氟的摩尔数）]的96.7-98.2％治疗6小时后。由S 2 O 8 2-引起的H-PFCA的分解甚至在60°C时也会进行，在该温度下，初始分解速率是相应PFCA的7.1–12.7倍。反应机理可通过亲核取代由SO说明4 -在安装于H-全氟羧酸的ω-H原子的碳原子，接着形成的perfluorodicarboxylic酸（HOOCC

表征谱图