4-磺基-2,3,5,6-四氟苯甲酸 | 125662-60-4

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯甲酸系列
• 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: 4-磺基-2,3,5,6-四氟苯甲酸
• 英文名称: 2,3,5,6-tetrafluoro-4-sulfobenzoic acid
• CAS: 125662-60-4
• 化学式: C₇H₂F₄O₅S
• 分子量: 274.149
• InChiKey: JNESNWCWZVATQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  9

安全信息

• 危险等级：
  8
• 储存条件：
  室温

SDS

4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 1C
Category 1
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Danger
Hazard statements Causes severe skin burns and eye damage
Precautionary statements:
[Prevention] Do not breathe dust/fume/gas/mist/vapours/spray.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
[Response]
breathing.
IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
Wash contaminated clothing before reuse.
Immediately call a POISON CENTER or doctor/physician.
[Storage] Store locked up.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid
Percent: >95.0%(LC)(T)
125662-60-4
CAS Number:
Chemical Formula: C7H2F4O5S
4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. Immediately call a POISON CENTER or doctor/physician.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing.Immediately call a POISON CENTER or
doctor/physician.
Ingestion: Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
induce vomiting.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
emergency procedures: be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a closed system if possible. Use a local exhaust if dust or aerosol will be
generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store under inert gas.
Protect from moisture.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Hygroscopic
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust. Also install safety shower and eye bath.
Personal protective equipment
4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
etc. Use respirators approved under appropriate government standards and follow
local and national regulations.
Hand protection: Impervious gloves.
Eye protection: Safety goggles. A face-shield, if the situation requires.
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Solid
Physical state (20°C):
Form: Crystal- Powder
Colour: Slightly pale yellow - Reddish yellow
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents] No data available

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride, Sulfur oxides
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow: No data available
No data available
Soil adsorption (Koc):
4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid

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Section 12. ECOLOGICAL INFORMATION
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: 8: Corrosive.
1759
UN-No:
Proper shipping name: Corrosive solid, n.o.s.
Packing group: III

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-磺基-2,3,5,6-四氟苯甲酸 在 氯化亚砜 、 四苯基溴化膦 、 sodium fluoride 、 N,N-二甲基甲酰胺 作用下， 以 乙醚 为溶剂， 反应 16.0h， 生成 methyl 4-chloro-2,3,5,6-tetrafluorobenzoate
  参考文献：
  名称：

  4-磺基-2,3,5,6，-四氟苯甲酸的合成与反应

  摘要：

  通过五巯基苯甲酸通过4-巯基-四氟苯甲酸的氧化合成4-Sulpho-2,3,5,6-四氟苯甲酸（I）。I与DMF / SOCl 2的反应得到1,4-ClC 6 F 4 COCl（IIA），通过氟化物交换将其转化为1,4-ClC 6 F 4 COF（IIB）。与甲醇或苯胺反应分别得到甲酯1，4-ClC 6 F 4 CO 2 Me（IIIA）和苯胺1，4-ClC 6 F 4 CONHPh（IIIB）。我的治疗用PCl 5产生二酰氯1，4-ClOCC 6 F 4 SO 2 Cl（IVA），其在四甘醇二甲醚中通过KF的作用转化为IIB。I与SF 4的化学计量反应得到1,4-FOCC 6 F 4 SO 2 F（IVB），而使用过量试剂则产生1,4-F 3 CC 6 F 4 SO 2 F（V）。IVB的部分水解得到1,4-HO 2 CC 6 F 4 SO2 F（VIA），将其在DMSO中脱羧，得到1,4-

  DOI：

  10.1016/s0022-1139(00)80200-6
• 作为产物：
  描述：

  2,3,4,5,6-五氟苯甲酸 在 sodium hydroxide 、 sodium hydrogensulfide 、 双氧水 、 溶剂黄146 作用下， 反应 4.0h， 生成 4-磺基-2,3,5,6-四氟苯甲酸
  参考文献：
  名称：

  4-磺基-2,3,5,6，-四氟苯甲酸的合成与反应

  摘要：

  通过五巯基苯甲酸通过4-巯基-四氟苯甲酸的氧化合成4-Sulpho-2,3,5,6-四氟苯甲酸（I）。I与DMF / SOCl 2的反应得到1,4-ClC 6 F 4 COCl（IIA），通过氟化物交换将其转化为1,4-ClC 6 F 4 COF（IIB）。与甲醇或苯胺反应分别得到甲酯1，4-ClC 6 F 4 CO 2 Me（IIIA）和苯胺1，4-ClC 6 F 4 CONHPh（IIIB）。我的治疗用PCl 5产生二酰氯1，4-ClOCC 6 F 4 SO 2 Cl（IVA），其在四甘醇二甲醚中通过KF的作用转化为IIB。I与SF 4的化学计量反应得到1,4-FOCC 6 F 4 SO 2 F（IVB），而使用过量试剂则产生1,4-F 3 CC 6 F 4 SO 2 F（V）。IVB的部分水解得到1,4-HO 2 CC 6 F 4 SO2 F（VIA），将其在DMSO中脱羧，得到1,4-

  DOI：

  10.1016/s0022-1139(00)80200-6

文献信息

• NON-IONIC ARYL KETONE BASED POLYMERIC PHOTO-ACID GENERATORS
  申请人：International Business Machines Corporation

  公开号：US20180044459A1

  公开（公告）日：2018-02-15

  Non-ionic photo-acid generating (PAG) polymerizable monomers were prepared that contain a side chain sulfonate ester of an alpha-hydroxy aryl ketone. The aryl ketone group has a perfluorinated substituent alpha to the ketone carbonyl. The sulfur of the sulfonate ester is also directly linked to a fluorinated group. PAG polymers prepared from the PAG monomers release a strong sulfonic acid when exposed to high energy radiation such as deep UV or extreme UV light. The photo-generated sulfonic acid has a low diffusion rate in an exposed resist layer subjected to a post-exposure bake (PEB) at 100° C. to 150° C., resulting in formation of good line patterns after development.

  制备了含有α-羟基芳基酮的侧链磺酸酯的非离子光酸发生（PAG）可聚合单体。芳基酮基团在酮基团的α位有全氟取代基。磺酸酯的硫也直接连接到氟化基团。从这些PAG单体制备的PAG聚合物在暴露于高能辐射（如深紫外或极紫外光）时释放出强磺酸。在经过后曝光烘烤（PEB）处理（100°C至150°C）的暴露光刻胶层中，光生成的磺酸扩散速率较低，结果在显影后形成良好的线型图案。
• Non-ionic photo-acid generating polymers for resist applications
  申请人：International Business Machines Corporation

  公开号：US09244345B1

  公开（公告）日：2016-01-26

  Photo-acid generating vinyl polymerizable monomers (PAG monomers) were prepared comprising sulfonate ester groups of N-hydroxide imides. The photo-acid generating portion of the PAG monomer is linked to a polymerizable portion of the monomer by an amide linking group. Photo-acid generating polymers (PAG polymers) of the PAG monomers show high sensitivity to extreme ultraviolet radiation (13.5 nm) and much less sensitivity to far ultraviolet wavelengths (193 nm, 248 nm). The PAG polymers also exhibit thermal and chemical amplification properties useful for forming high resolution positive tone or negative tone lithographic resist patterns.

  含有磺酸酯基团的光酸生成乙烯基可聚合单体（PAG单体）是由N-羟基亚酰亚胺制备而成。PAG单体的光酸生成部分通过酰胺连接基团连接到单体的可聚合部分上。PAG单体的光酸生成聚合物（PAG聚合物）对极紫外辐射（13.5纳米）具有很高的敏感性，对远紫外波长（193纳米、248纳米）的敏感性较低。PAG聚合物还表现出热化学放大特性，有助于形成高分辨率的正相或负相光刻抗蚀图案。
• NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS
  申请人：International Business Machines Corporation

  公开号：US20180044284A1

  公开（公告）日：2018-02-15

  Non-ionic photo-acid generating (PAG) compounds were prepared that contain an aryl ketone group. The disclosed non-polymeric PAGs release a strong sulfonic acid when exposed to high energy radiation such as deep UV or extreme UV light. The photo-generated sulfonic acid has a low diffusion rate in an exposed resist layer subjected to a post-exposure bake (PEB) at 100° C. to 150° C., resulting in formation of good line patterns after development. At higher temperatures, the PAGs undergo a thermal reaction to form a sulfonic acid.

  制备了含芳基酮基团的非离子光酸发生（PAG）化合物。揭示的非聚合物PAG在暴露于高能辐射（如深紫外或极紫外光）时释放出强磺酸。光生磺酸在经过后曝光烘烤（PEB）处理（在100°C至150°C下）的受暴露光阻层中具有低扩散速率，从而在显影后形成良好的线条图案。在较高温度下，PAG会发生热反应形成磺酸。
• Perfluorinated intermediates which are useful in the production of
  申请人：Imperial Chemical Industries PLC

  公开号：US05169983A1

  公开（公告）日：1992-12-08

  An organic polymeric material, which is preferably perfluorinated and which comprises a polymeric chain and at least one group pendant from the chain, in which the group pendant from the chain comprises a saturated cyclic group and at least one ion-exchange group or group convertible thereto, and in which the ion-exchange group of group convertible thereto is linked to the polymeric chain through the cyclic group. Also an ion-exchange membrane produced from the polymeric material, an electrolytic cell containing the membrane, vinyl monomers from which the organic polymeric material may be produced and intermediates useful in production of the monomers.

  一种有机聚合材料，最好是全氟化的，包括聚合链和至少一个悬挂在链上的基团，其中来自链的悬挂基团包括饱和环状基团和至少一个离子交换基团或可转化为其的基团，并且离子交换基团或可转化为其的基团通过环状基团连接到聚合链。还有一种由该聚合材料生产的离子交换膜，包含该膜的电解池，可用于生产有机聚合材料的乙烯单体以及用于生产这些单体的中间体。
• [EN] METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES<br/>[FR] PROCÉDÉS DE PRÉPARATION DE DÉRIVÉS DE BENZODIAZÉPINE CYTOTOXIQUES
  申请人：IMMUNOGEN INC

  公开号：WO2017015495A1

  公开（公告）日：2017-01-26

  The invention relates to novel methods for preparing indolinobenzodiazepine dimer compounds and their synthetic precursors.

  本发明涉及一种制备吲哚啉苯二氮平二聚物化合物及其合成前体的新方法。