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  4. 3,4,5,6-四氟-2-羟基苯甲酸 | 14742-36-0

14742-36-0 (3,4,5,6-四氟-2-羟基苯甲酸,3,4,5,6-Tetrafluorosalicylic Acid)

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3,4,5,6-四氟-2-羟基苯甲酸(14742-36-0)名称与标识符

名称

中文别名：
3,4,5,6-四氟水杨酸;(5-溴正戊基)苯;3,4,5,6-Tetrafluorosalicylic Acid 3,4,5,6-四氟水杨酸;3,4,5,6-四氟-2-羟基苯甲酸;
英文别名：
Benzoic acid,2,3,4,5-tetrafluoro-6-hydroxy-;3,4,5,6-Tetrafluorosalicylic Acid;2,3,4,5-tetrafluoro-6-hydroxybenzoic acid;3,4,5,6-TETRAFLUORO-2-HYDROXYBENZOIC ACID;Tetrafluorosalicylic acid;WKYGDMSOKGXAAY-UHFFFAOYSA-N;PC52121;FCH1326336;Benzoic acid, 2,3,4,5-tetrafluoro-6-hydroxy-;2,3,4,5-Tetrafluoro-6-hydroxybenzo;

标识符

InChIKey：
WKYGDMSOKGXAAY-UHFFFAOYSA-N
Inchi：
1S/C7H2F4O3/c8-2-1(7(13)14)6(12)5(11)4(10)3(2)9/h12H,(H,13,14)
SMILES：
FC1=C(C(=C(C(=C1C(=O)O)O)F)F)F

3,4,5,6-四氟-2-羟基苯甲酸(14742-36-0)物化性质

实验特性

  • LogP : 1.64680
  • PSA : 57.53000
  • 折射率 : 1.509
  • 沸点 : 282.1 °C at 760 mmHg
  • 熔点 : 170.0 to 175.0 deg-C
  • 闪点 : 124.4 °C
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.792

计算特性

  • 精确分子量 : 209.99400
  • 氢键供体数量 : 2
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 1
  • 重原子数量 : 14
  • 复杂度 : 237
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值（XlogP） : 2
  • 互变异构体数量 : 4
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 57.5

3,4,5,6-四氟-2-羟基苯甲酸(14742-36-0)海关数据

海关编码：
2918290000
海关数据：

中国海关编码：

2918290000

概述：

2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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

监管条件：

A.入境货物通关单
B.出境货物通关单

检验检疫类别：

R.进口食品卫生监督检验
S.出口食品卫生监督检验

Summary：

HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

3,4,5,6-四氟-2-羟基苯甲酸(14742-36-0)相关文献

  • 1. Partially fluorinated heterocyclic compounds. Part III. The preparation of 4,5,6,7-tetrafluorobenzo[b]furan
    G. M. Brooke,B. S. Furniss J. Chem. Soc. C 1967 869
  • 2. Partially fluorinated heterocyclic compounds. Part VI. Some reactions of 4,5,6,7-tetrafluorobenzo[b]furan
    G. M. Brooke,B. S. Furniss,W. K. R. Musgrave J. Chem. Soc. C 1968 580

3,4,5,6-四氟-2-羟基苯甲酸(14742-36-0)参考资料

Reaxys RN：
2216182
Beilstein：
T162538

3,4,5,6-四氟-2-羟基苯甲酸(14742-36-0) MSDS

基础信息

  3,4,5,6-Tetrafluorosalicylic Acid
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        3,4,5,6-Tetrafluorosalicylic Acid    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Skin corrosion/irritation        Category 2    
    Category 2A
  Serious eye damage/eye irritation
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Causes skin irritation    
    Causes serious eye irritation
  Precautionary statements:
    Wash hands thoroughly after handling.
  [Prevention]
    Wear protective gloves/eye protection/face protection.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
  [Response]
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        3,4,5,6-Tetrafluorosalicylic Acid    
  Percent:        >98.0%(T)    
  CAS Number:        14742-36-0    
  Synonyms:        3,4,5,6-Tetrafluoro-2-hydroxybenzoic Acid    
    C7H2F4O3
  Chemical Formula:
Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  3,4,5,6-Tetrafluorosalicylic Acid
Section 4. FIRST AID MEASURES
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    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.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:
Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: 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 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 away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
    Crystal- Powder
  Form:
  Colour:        White - Very pale yellow    
    No data available
  Odour:
  3,4,5,6-Tetrafluorosalicylic Acid
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  pH: No data available
  Melting point/freezing point:173°C
  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    
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
  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:
    No data available
  IARC =
  NTP =        No data available    
  Reproductive toxicity:        No data available    
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  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
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  UN-No:        Not listed    
  3,4,5,6-Tetrafluorosalicylic Acid
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

目录

1.基本信息 2.名称与标识符 2.1.名称 2.2.标识符 3.物化性质 3.1.实验特性 3.2.计算特性 4.安全信息 5.海关数据 6.推荐厂家 7.相关文献 8.参考资料 9.3,4,5,6-四氟-2-羟基苯甲酸 MSDS
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3,4,5,6-四氟-2-羟基苯甲酸
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