2-脱氧-2,2-二氟-D-赤型-戊糖酸-3,5-二苯甲酸-γ-内酯

2-脱氧-2,2-二氟-D-赤型-戊糖酸-3,5-二苯甲酸-γ-内酯 基本信息
CAS号 122111-01-7 分子式 C19H14F2O6
分子量 376.30800 精确质量 　376.07600
PSA 　78.90000 LogP 　2.62970
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 MSDS 海关数据 上下游

基本信息 展开↓

CAS号：
122111-01-7
3D弹球模型：
立即前往扯扯看
分子式：
C19H14F2O6
分子量：
376.30800
中文名称：
2-脱氧-2,2-二氟-D-赤型-戊糖酸-3,5-二苯甲酸-γ-内酯
英文名称：
2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid γ-Lactone 3,5-Dibenzoate
中文别名：
2-脱氧-2,2-二氟-D-赤型-戊糖酸-3,5-二苯甲酸-γ-内酯;
2-脱氧-2,2-二氟戊呋喃糖-1-酮3,5-二安息香酸盐;
2-脱氧-2,2-二氟-D-赤型-1-呋喃酮糖-3,5-二苯甲酰酯;
2-脱氧-2,2-二氟戊呋喃糖-1-酮3.5-二安息香酸盐;
核酮糖;
2-脱氧-2,2-二氟戊呋喃糖-1-酮-3,5-二安息香酸盐
英文别名：
2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid γ-Lactone 3,5-Dibenzoate;
2-Deoxy-2,2-Difluoro-d-Erythro-Pentofuranos-1-Ulose-3,5-Dibenzoate;
[(2R,3R)-3-benzoyloxy-4,4-difluoro-5-oxooxolan-2-yl]methyl benzoate;
((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl)methyl benzoate;
2-Deoxyl-2,2-difluoro-D-erythro-pentofuranos-1-ulose-3,5-dibenzoate;
2-Deoxy-2,2-difluoro-D-erythro-pentonic acid γ-Lactone 3,5-dibenzoate
精确分子量/精确质量：
376.07600
极性分子表面积/PSA：
78.90000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
InChI=1/C19H14F2O6/c20-19(21)15(27-17(23)13-9-5-2-6-10-13)14(26-18(19)24)11-25-16(22)12-7-3-1-4-8-12/h1-10,14-15H,11H2

生产制备方法及用途展开↓

制备方法

吉西他滨中间体。

用途简介

物化性质展开↓

外观与性状：
灰白色固体
密度：
1.41g/cm3
熔点：
117-119ºC(lit.)
沸点：
437.2ºC at 760 mmHg
闪点：
210.5ºC
折射率：
1.57
蒸汽压：
7.61E-08mmHg at 25°C

安全信息展开↓

海关代码：
2934999090
WGK_Germany：
3
德国有关水污染物质的分类清单

合成路线查看所有的合成路线

  • 114420-06-3

    PENTONIC ACID, 2-DEOXY-2,2-DIFLUORO-4,5-O-(1-METHYLETHYLIDENE)-, ETHYL ESTER

  • +

  • 98-88-4

    苯甲酰氯

  • →

  • 122111-01-7

    2-脱氧-2,2-二氟-D-赤型-戊糖酸-3,5-二苯甲酸-γ-内酯

  • 98-88-4

    苯甲酰氯

  • +

  • 928797-50-6

    ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanoate

  • →

  • 122111-01-7

    2-脱氧-2,2-二氟-D-赤型-戊糖酸-3,5-二苯甲酸-γ-内酯

  • 110-86-1

    吡啶

  • +

  • 98-88-4

    苯甲酰氯

  • +

  • 95058-77-8

    2-脱氧-2,2-二氟-D-赤式戊呋喃酮糖-3,5-二醇

  • →

  • 628-13-7

    吡啶盐酸盐

  • +

  • 122111-01-7

    2-脱氧-2,2-二氟-D-赤型-戊糖酸-3,5-二苯甲酸-γ-内酯

MSDS 展开↓

  2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid γ-Lactone Revision number: 5
  3,5-Dibenzoate
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
    2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid γ-Lactone 3,5-Dibenzoate
  Product name:
                  

  Revision number:        5    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
    Not classified
  PHYSICAL HAZARDS
  HEALTH HAZARDS        Not classified    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
    None
  Pictograms or hazard symbols
  Signal word        No signal word    
    None
  Hazard statements
  Precautionary statements:        None    
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid γ-Lactone 3,5-Dibenzoate    
  Percent:        >98.0%(LC)    
  CAS Number:        122111-01-7    
  Chemical Formula:        C19H14F2O6    
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.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. 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.    
  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.    
  Lactone 3,5-Dibenzoate
Section 5. FIRE-FIGHTING MEASURES
  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 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 freezer.    
    Store away from incompatible materials such as oxidizing agents.
    Heat-sensitive
  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.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
  Form:        Crystal- Powder    
  Colour:        White - Almost white    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:123°C
  Boiling point/range:        No data available    
  Flash point:        No data available    
  Flammability or explosive
  limits:
    No data available
  Lower:
  Upper:        No data available    
    No data available
  Relative density:
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]
  Soluble:        Dimethylformamide(DMF)    
  Lactone 3,5-Dibenzoate
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:
  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    
    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):
  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    
    Not listed
  UN-No:
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.
  Lactone 3,5-Dibenzoate

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2934999090

概述：
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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