24435-45-8

• 常用中文名：(S)-2-三氟甲基-2-羟基丙酸
• 常用英文名：(s)-3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid
• CAS号：24435-45-8
• 分子式：C₄H₅F₃O₃
• 分子量：158.07600
• 发布时间：2018-12-05 18:25:53
• 更新时间：2024-01-12 15:21:42
• 下载msds

名称

• 中文名: (S)-3,3,3-二氟-2-羟基-2-甲基丙酸
• 英文名: (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
• 中文别名: (S)-2-三氟甲基-2-羟基丙酸
• 英文别名: (S)-3,3,3-Trifluoro-2-hydroxyisobutyric Acid; (S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid; (S)-3,3,3-Trifluoro-2-hydroxy-2-Methylpropionic Acid; MFCD07375449; (S)-2-Hydroxy-2-(trifluoromethyl)propionic Acid; S-TFM-LA

物化性质

• 密度: 1.407g/cm3
• 沸点: 60-64ºC 20mm
• 熔点: 110ºC
• 分子式: C₄H₅F₃O₃
• 分子量: 158.07600
• 闪点: 59.9ºC
• 精确质量: 158.01900
• PSA: 57.53000
• LogP: 0.38430
• 外观性状: 固体;White to Almost white powder to crystal
• 蒸汽压: 0.0042mmHg at 25°C
• 折射率: -16.5 ° (C=5, H2O)
• 储存条件:

  冷冻

• 水溶解性: 水溶性：可溶
• 分子结构:

  1、 摩尔折射率：24.10

  2、 摩尔体积（m³/mol）：103.1

  3、 等张比容（90.2K）：4248.5

  4、 表面张力（dyne/cm）：33.7

  5、 极化率（10 ^-24cm ³）：9.55

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.5

  2.氢键供体数量:2

  3.氢键受体数量:6

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积57.5

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:152

  10.同位素原子数量:0

  11.确定原子立构中心数量:1

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：110

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kpa,20ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic Acid Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic Acid Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Category 1 Corrosive to metals HEALTH HAZARDS Category 1C Skin corrosion/irritation Serious eye damage/eye irritationCategory 1 Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordDanger Hazard statementsMay be corrosive to metals Causes severe skin burns and eye damage Precautionary statements: [Prevention]Keep only in original container. Do not breathe dust/fume/gas/mist/vapours/spray. Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. [Response]IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for 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. Absorb spillage to prevent material damage. [Storage]Store locked up. [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Acid Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic Acid Percent:>98.0%(T) CAS Number:24435-45-8 Synonyms:(S)-2-Hydroxy-2-(trifluoromethyl)propionic Acid , (S)-3,3,3-Trifluoro-2- hydroxyisobutyric Acid Chemical Formula:C4H5F3O3 Section4. 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. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry 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. When extinguishing fire, be sure to wear personal protective equipment. Special protective equipment for firefighters: Section6. 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. Section7. 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. Use corrosive resistant equipment. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a refrigerator. Store locked up. Store away from incompatible materials such as oxidizing agents. Acid Section7. HANDLING AND STORAGE Heat-sensitive Packaging material:Comply with laws. Keep only in original container. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath. Personal protective equipment 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. Section9. PHYSICAL AND CHEMICAL PROPERTIES Solid Physical state (20°C): Form:Crystal- Powder Colour:White - Very pale yellow Odour:No data available pH: No data available Melting point/freezing point:110°C Boiling point/range:No data available No data available Flash point: Flammability or explosive limits: Lower:No data available No data available Upper: Relative density:No data available Solubility(ies): [Water]Soluble No data available [Other solvents] Section10. 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 products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available Algae:No data available Persistence / degradability: No data available Acid Section12. ECOLOGICAL INFORMATION BioaccumulativeNo data available potential(BCF): Mobility in soil No data available Log Pow: Soil adsorption (Koc):No data available No data available Henry's Law constant(PaM3/mol): Section13. 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. Section14. TRANSPORT INFORMATION 8: Corrosive. Hazards Class: UN-No:3261 Corrosive solid, acidic, organic, n.o.s. Proper shipping name: Packing group:III Section15. 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. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-36
• 危险品运输编码: 3261.0
• 危险类别: 8.0
• 海关编码: 2918199090

合成路线

337-16-6 ~% 374-35-6 24435-45-8

文献：Tetrahedron Asymmetry, , vol. 10, # 4 p. 679 - 687

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海关

海关编码	2918199090
中文概述	HS: 2918199090. 其他含醇基但不含其他含氧基羧酸（包括其酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%