1,4-二羟基-8-氟-4-羰基喹啉-3-羧酸乙酯

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

1,4-二羟基-8-氟-4-羰基喹啉-3-羧酸乙酯 基本信息

中文名称:
1,4-二羟基-8-氟-4-羰基喹啉-3-羧酸乙酯 
中文别名:
1,4-二羟基-8-氟-4-羰基喹啉-3-羧酸乙酯;
8-氟-4-氧代-1,4-二氢喹啉-3-羧酸乙酯;
1,4-二氢-8-氟-4-氧喹啉-3-羧酸乙酯 
英文名称:
3-Quinolinecarboxylicacid, 8-fluoro-1,4-dihydro-4-oxo-, ethyl ester
英文别名:
ETHYL 1,4-DIHYDRO-8-FLUORO-4-OXOQUINOLINE-3-CARBOXYLATE;
8-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester;
Ethyl 1,4-dihydro-8-fluoro-4-oxoquinoline;
ETHYL 8-FLUORO-4-HYDROXY-3-QUINOLINECARBOXYLATE;
ETHYL 8-FLUORO-4-HYDROXYQUINOLINE-3-CARBOXYLATE;
8-FLUORO-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER;
BUTTPARK 18 9-67;
ethyl 8-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate;
ethyl-8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate 
CAS No.:
71083-06-2
分 子 式:
C12H10FNO3
分 子 量:
235.21
精确分子量:
235.06400
PSA:
59.16000
InChI:
The Key: MPUYCZQHTGRPNE-UHFFFAOYSA-N
风险术语:
R36/37/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
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1,4-二羟基-8-氟-4-羰基喹啉-3-羧酸乙酯 物化性质

密度:
1.172g/cm3
熔点:
217-219°C
沸点:
166.1ºC at 760 mmHg
闪点:
53.7ºC
折射率:
1.498
其它信息:

1.       性状:。

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):未确定

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,25ºC):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:。

1,4-二羟基-8-氟-4-羰基喹啉-3-羧酸乙酯 安全信息

危险类别码:
R36/37/38
安全说明:
S26-S36/37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi

1,4-二羟基-8-氟-4-羰基喹啉-3-羧酸乙酯 MSDS

Name: Ethyl 8-fluoro-4-oxo-1 4-dihydroquinoline-3-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS: 71083-06-2
Section 1 - Chemical Product   MSDS Name:Ethyl 8-fluoro-4-oxo-1 4-dihydroquinoline-3-carboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
71083-06-2 Ethyl 8-fluoro-4-oxo-1,4-dihydroquinol 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 71083-06-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 217 - 219 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H10FNO3
Molecular Weight: 235

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 71083-06-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 71083-06-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 71083-06-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 71083-06-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1,4-二羟基-8-氟-4-羰基喹啉-3-羧酸乙酯 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:57.08

2、   摩尔体积(m3/mol):178.4

3、   等张比容(90.2K):462.8

4、   表面张力(dyne/cm):45.3

5、   极化率10-24cm3):22.62

计算化学数据

1、   疏水参数计算参考值(XlogP):-3.2

2、   氢键供体数量:3

3、   氢键受体数量:4

4、   可旋转化学键数量:3

5、   拓扑分子极性表面积(TPSA):92

6、   重原子数量:11

7、   表面电荷:0

8、   复杂度:151

9、   同位素原子数量:0

10、   确定原子立构中心数量:1

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

 

1,4-二羟基-8-氟-4-羰基喹啉-3-羧酸乙酯 下游产品

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