7-氯-1-乙基-6-氟-1,4-二氢-4-羰基喹啉-3-羧酸

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

7-氯-1-乙基-6-氟-1,4-二氢-4-羰基喹啉-3-羧酸 基本信息

中文名称:
7-氯-1-乙基-6-氟-1,4-二氢-4-羰基喹啉-3-羧酸 
中文别名:
7-氯-1-乙基-6-氟-1,4-二氢-4-羰基喹啉-3-羧酸;
7-氯-1-乙基-6-氟-4-氧代-1,4-二氢-3-喹啉羧酸;
1-乙基-7-氯-6-氟-1,4-二氢-4-氧代喹啉-3-羧酸;
7-氯-1,4-二氢-1-乙基-6-氟-4-氧代-3-喹啉羧酸;
7-氯-1-乙基-6-氟-4-氧氢喹啉-3-羧酸 
英文名称:
3-Quinolinecarboxylicacid, 7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-
英文别名:
7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;
7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid 
CAS No.:
68077-26-9
分 子 式:
C12H9ClFNO3
分 子 量:
269.66
精确分子量:
269.02500
PSA:
59.30000
MDL:
MFCD00792459
EINECS:
421-280-4
InChI:
The Key: WNNSMMJBBOPPOT-UHFFFAOYSA-N
风险术语:
R52/53
安全术语:
S61
分子结构式:
SDS:
查看

7-氯-1-乙基-6-氟-1,4-二氢-4-羰基喹啉-3-羧酸 物化性质

外观与性状:
白色粉末
密度:
1.489 g/cm3
熔点:
245°C
沸点:
437.9ºC at 760 mmHg
闪点:
218.7ºC
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干燥处。储存的地方必须远离氧化剂。

稳定性相关:

远离氧化物

其它信息:

1.       性状:粉末。

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:未确定

7-氯-1-乙基-6-氟-1,4-二氢-4-羰基喹啉-3-羧酸 安全信息

海关代码:
2933499090
危险类别码:
R52/53
安全说明:
S61
安全标志:
S61:避免排放到环境中。参考专门的说明/安全数据表。

7-氯-1-乙基-6-氟-1,4-二氢-4-羰基喹啉-3-羧酸 毒理性

生态数据:

对水稍微有危害的,不要让未稀释或者大量产品接触地下水,水道或者污水系统。若无政府许可,勿将材料排入周围环境。

7-氯-1-乙基-6-氟-1,4-二氢-4-羰基喹啉-3-羧酸 MSDS

Name: 7-Chloro-1-Ethyl-6-Fluoro-4-Oxohydroquinoline-3-Carboxylic Acid 98% Material Safety Data Sheet
Synonym: None Known
CAS: 68077-26-9
Section 1 - Chemical Product   MSDS Name:7-Chloro-1-Ethyl-6-Fluoro-4-Oxohydroquinoline-3-Carboxylic Acid 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
68077-26-9 7-Chloro-1-Ethyl-6-Fluoro-4-Oxohydroqu 98% 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. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 68077-26-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C12H9ClFNO3
Molecular Weight: 269.66

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 68077-26-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
7-Chloro-1-Ethyl-6-Fluoro-4-Oxohydroquinoline-3-Carboxylic Acid - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 68077-26-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 68077-26-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 68077-26-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

7-氯-1-乙基-6-氟-1,4-二氢-4-羰基喹啉-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%

7-氯-1-乙基-6-氟-1,4-二氢-4-羰基喹啉-3-羧酸 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:62.04

2、   摩尔体积(m3/mol):181.0

3、   等张比容(90.2K):494.7

4、   表面张力(dyne/cm):55.7

5、   极化率10-24cm3):24.59

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:5

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:18

8.表面电荷:0

9.复杂度:412

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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