1-环丙基-6,7-二氟-1,4-二氢-4-氧喹啉-3-羧酸

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

1-环丙基-6,7-二氟-1,4-二氢-4-氧喹啉-3-羧酸 基本信息

中文名称:
1-环丙基-6,7-二氟-1,4-二氢-4-氧喹啉-3-羧酸 
中文别名:
1-环丙基-6,7-二氟-1,4-二氢-4-氧喹啉-3-羧酸;
1-环丙基-6,7-二氟-1,4-二氢-4-氧代-3-喹啉甲酸;
1-环丙基-6,7-二氟-1,4-二氢-4-氧代喹啉-3-甲酸 
英文名称:
3-Quinolinecarboxylicacid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-
英文别名:
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid;
1-Cyclopropyl-6-, 7-Difluoro-1,4-Dihydro-4-Oxoquinoline-3-carboxylic Acid 
CAS No.:
93107-30-3
分 子 式:
C13H9F2NO3
分 子 量:
265.2122664
精确分子量:
265.05500
PSA:
59.30000
EINECS:
413-760-7
InChI:
InChI=1/C13H9F2NO3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2H2,(H,18,19)
危险品标志:
风险术语:
62-52/53
安全术语:
Hazard Codes Xn
Risk Statements 62-52/53
Safety Statements 22-36/37-61
分子结构式:
SDS:
查看

1-环丙基-6,7-二氟-1,4-二氢-4-氧喹啉-3-羧酸 物化性质

密度:
1.63g/cm3
沸点:
434.2ºC at 760 mmHg
闪点:
216.4ºC
折射率:
1.655
蒸汽压:
2.61E-08mmHg at 25°C

1-环丙基-6,7-二氟-1,4-二氢-4-氧喹啉-3-羧酸 安全信息

海关代码:
2933499090
危险类别码:
62-52/53
安全说明:
22-36/37-61
危险标志:
Xn: Harmful;

1-环丙基-6,7-二氟-1,4-二氢-4-氧喹啉-3-羧酸 MSDS

  1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline- Revision number: 5
  3-carboxylic Acid
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Reproductive toxicity        Category 2    
  ENVIRONMENTAL HAZARDS
  Acute aquatic hazard        Category 3    
  Long-term aquatic hazard        Category 3    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
    Suspected of damaging fertility or the unborn child
  Hazard statements
    Harmful to aquatic life
    Harmful to aquatic life with long lasting effects
  Precautionary statements:
    Obtain special instructions before use.
  [Prevention]
    Do not handle until all safety precautions have been read and understood.
    Avoid release to the environment.
    Use personal protective equipment as required.
  [Response]        IF exposed or concerned: Get medical advice/attention.    
  [Storage]        Store locked up.    
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
    1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid
  Components:
  Percent:        >98.0%(LC)(T)    
    93107-30-3
  CAS Number:
  Chemical Formula:        C13H9F2NO3    
  1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-
  oxoquinoline-3-carboxylic Acid

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.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Get medical advice/attention.
  Ingestion:        Get medical advice/attention.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.    
  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
    Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
  Personal precautions,
  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 all contact!
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store locked up.
    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. 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.    
    Safety goggles. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.
  1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-
  oxoquinoline-3-carboxylic Acid

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
  Form:        Crystal- Powder    
    White - Almost white
  Colour:
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:289°C
    No data available
  Boiling point/range:
  Flash point:        No data available    
  Flammability or explosive
  limits:
    No data available
  Lower:
  Upper:        No data available    
  Relative density:        No data available    
  Solubility(ies):
    No data available
  [Water]
  [Other solvents]
    Hot dimethylformamide(DMF)
  Soluble:

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, Nitrogen oxides (NOx), 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:
    No data available
  IARC =
  NTP =        No data available    
    No data available
  Reproductive toxicity:

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.
  1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-
  oxoquinoline-3-carboxylic Acid

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  UN-No:        Not listed    

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

1-环丙基-6,7-二氟-1,4-二氢-4-氧喹啉-3-羧酸 海关数据

中国海关编码:2933499090

概述:
2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-环丙基-6,7-二氟-1,4-二氢-4-氧喹啉-3-羧酸 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:6

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积:57.6

7.重原子数量:19

8.表面电荷:0

9.复杂度:461

10.同位素原子数量:0

11.确定原子立构中心数量:0

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

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