(S)-3,3,3-三氟-2-羟基-2-甲基丙酸,24435-45-8，生产厂家，价格-洛克化工网移动版

(S)-3,3,3-三氟-2-羟基-2-甲基丙酸

中文名称：: (S)-3,3,3-三氟-2-羟基-2-甲基丙酸

中文别名：: (S)-3,3,3-二氟-2-羟基-2-甲基丙酸;
(S)-2-三氟甲基-2-羟基丙酸

英文名称：: Propanoic acid,3,3,3-trifluoro-2-hydroxy-2-methyl-, (2S)-

英文别名：: (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid;
(S)-3,3,3-Trifluoro-2-hydroxyisobutyric Acid;
S-TFM-LA;
(S)-3,3,3-Trifluoro-2-hydroxy-2-Methylpropionic Acid;
(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid;
(S)-2-Hydroxy-2-(trifluoromethyl)propionic Acid

CAS No.：: 24435-45-8

分子式：: C₄H₅F₃O₃

分子量：: 158.08

精确分子量：: 158.01900

PSA：: 57.53000

InChI：: InChI=1/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)/t3-/m0/s13

风险术语：: 36/37/38

分子结构式：

SDS：: 查看

(S)-3,3,3-三氟-2-羟基-2-甲基丙酸物化性质

密度：: 1.407g/cm3
熔点：: 110ºC
沸点：: 60-64ºC 20mm
闪点：: 59.9ºC
蒸汽压：: 0.0042mmHg at 25°C
存储条件/存储方法：: 冷冻
其它信息：: 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

(S)-3,3,3-三氟-2-羟基-2-甲基丙酸安全信息

海关代码：: 2918199090
危险类别码：: R36/37/38
安全说明：: 26-36
危险标志：: Xi: Irritant;

(S)-3,3,3-三氟-2-羟基-2-甲基丙酸 MSDS

(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic Acid Revision number: 5
SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        (S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic Acid

  Revision number:        5

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 1
  Corrosive to metals
  HEALTH HAZARDS
    Category 1C
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 1
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Danger
  Hazard statements        May 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

Section 3. 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

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.
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-
    tight goggles.

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.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

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.

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.
    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

Section 7. HANDLING AND STORAGE
Heat-sensitive
Packaging material: Comply with laws. Keep only in original container.

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
  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.

Section 9. 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]

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
  products:

Section 11. 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

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available
  Algae:        No data available
  Persistence / degradability: No data available
  Acid

Section 12. ECOLOGICAL INFORMATION
  Bioaccumulative        No 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):

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.

Section 14. TRANSPORT INFORMATION
    8: Corrosive.
  Hazards Class:
  UN-No:        3261
    Corrosive solid, acidic, organic, n.o.s.
  Proper shipping name:
  Packing group:        III

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.

SECTION 16 - ADDITIONAL INFORMATION
N/A

(S)-3,3,3-三氟-2-羟基-2-甲基丙酸海关数据

中国海关编码：2918199090

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
摘要/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%

(S)-3,3,3-三氟-2-羟基-2-甲基丙酸分子结构与计算化学数据

分子结构数据

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^-24cm³）：9.55

计算化学数据

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

(S)-3,3,3-三氟-2-羟基-2-甲基丙酸上游产品

(S)-3,3,3-三氟-2-羟基-2-甲基丙酸表征图谱

(S)-3