1-环丙基-6,7-二氟-1,4-二氢-4-氧喹啉-3-羧酸 | 93107-30-3

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 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: Q酸；1-环丙基-6,7-二氟-4-氧-1,4-二氢喹啉-3-羧酸；1-环丙基-6,7-二氟-1,4-二氢-4-氧代喹啉-3-甲酸；1-环丙基-6,7-二氟-1,4-二氢-4-氧代-3-喹啉甲酸；BES-1
• 英文名称: 1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• 英文别名: 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid；1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
• CAS: 93107-30-3
• 化学式: C₁₃H₉F₂NO₃
• 分子量: 265.216
• InChiKey: KNEXGVPHPGXAGF-UHFFFAOYSA-N

物化性质

• 熔点：
  289°C(lit.)
• 沸点：
  434.2±45.0 °C(Predicted)
• 密度：
  1.630±0.06 g/cm3(Predicted)
• 溶解度：
  溶于二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R62,R52/53
• 海关编码：
  2933499090
• 安全说明：
  S22,S36/37,S61
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温且干燥环境下使用。

SDS

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

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

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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.

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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

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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.

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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:

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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.

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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.

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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

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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:

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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:

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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:

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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):

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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

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

该化合物**1-环丙基-6,7-二氟-1,4-二氢-4-氧代-3-喹啉甲酸**是一种羧酸类有机物，常被用作合成盐酸贝西沙星的中间体。