175278-35-0 (4-氧代-8-(三氟甲氧基)-1,4-二氢喹啉-3-羧酸乙酯,Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate)

快速询单

结构式：

4-氧代-8-(三氟甲氧基)-1,4-二氢喹啉-3-羧酸乙酯MOL文件

CAS号：

175278-35-0

中文名称：

4-氧代-8-(三氟甲氧基)-1,4-二氢喹啉-3-羧酸乙酯

英文名称：

Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate

分子式：

C₁₃H₁₀F₃NO₄

分子量：

301.218014240265

4-氧代-8-(三氟甲氧基)-1,4-二氢喹啉-3-羧酸乙酯(175278-35-0)名称与标识符

名称

中文别名：

3,4-二氯二苯甲酮;4-羟基-8-三氟甲氧基喹啉-3-羧酸乙酯;4-氧代-8-(三氟甲氧基)-1,4-二氢喹啉-3-羧酸乙酯;

英文别名：

Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate;3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-8-(trifluoromethoxy)-, ethyl ester;ETHYL 1,4-DIHYDRO-8-(TRIFLUOROMETHOXY)-4-OXOQUINOLINE-3-CARBOXYLATE;Ethyl 4-hydroxy-8-(trifluoromethoxy)-quinoline-3-carboxylate;Ethyl 4-oxo-8-(trifluoromethoxy)-1,4-dihydroquinoline-3-carboxylate;ethyl 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylate;Ethyl4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate97%;Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate 97%;MVLDLMQMSHLPLH-UHFFFAOYSA-N;CS-0080648;DTXSID60371905;A812056;ethyl 4-oxidanylidene-8-(trifluoromethyloxy)-1H-quinoline-3-carboxylate;4-HYDROXY-8-TRIFLUOROMETHOXYQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER;Ethyl 4-hydroxy-8-(trifluoromethoxy)-3-quinolinecarboxylate;SR-01000631900-1;Maybridge1_000173;4-Hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylic acid ethyl ester;AKOS015897021;3-Quinolinecarboxylicacid,1,4-dihydro-4-oxo-8-(trifluoromethoxy)-,ethyl ester;AKOS025312521;FT-0626093;175278-35-0;MFCD03407891;PS-7128;3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-8-(trifluoromethoxy)-, ethyl ester;CCG-41853;SCHEMBL8132372;4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid ethyl ester;MixCom1_000327;SB73051;40516-39-0;F10474;MFCD00221480;DB-044205;1,4-Dihydro-4-Oxo-8-(Trifluoromethoxy)-3-Quinolinecarboxylic Acid Ethyl Ester;

标识符

MDL：

MFCD00221480

InChIKey：

MVLDLMQMSHLPLH-UHFFFAOYSA-N

Inchi：

1S/C13H10F3NO4/c1-2-20-12(19)8-6-17-10-7(11(8)18)4-3-5-9(10)21-13(14,15)16/h3-6H,2H2,1H3,(H,17,18)

SMILES：

FC(OC1=CC=CC2C(C(C(=O)OCC)=CNC=21)=O)(F)F

4-氧代-8-(三氟甲氧基)-1,4-二氢喹啉-3-羧酸乙酯(175278-35-0)物化性质

实验特性

LogP : 2.60340
PSA : 68.39000
折射率 : 1.512
沸点 : 292.1°Cat760mmHg
熔点 : 235 °C
蒸气压 : 0.0±0.8 mmHg at 25°C
闪点 : 130.4°C
密度 : 1.45

计算特性

精确分子量 : 301.05600
氢键供体数量 : 1
氢键受体数量 : 8
可旋转化学键数量 : 4
同位素质量 : 301.056
重原子数量 : 21
复杂度 : 461
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.2
拓扑分子极性表面积 : 64.6A^2

4-氧代-8-(三氟甲氧基)-1,4-二氢喹啉-3-羧酸乙酯(175278-35-0)安全信息

安全术语： S26;S37/39
安全说明： S26; S36/37/39
风险术语： R36/37/38
危险品标志： Xi
危害声明：Irritant
警示性声明：P264+P280+P305+P351+P338+P337+P313
储存条件： storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
危险类别码： 36/37/38
信号词： warning

4-氧代-8-(三氟甲氧基)-1,4-二氢喹啉-3-羧酸乙酯(175278-35-0)海关数据

海关编码：

2933499090

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

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%

4-氧代-8-(三氟甲氧基)-1,4-二氢喹啉-3-羧酸乙酯(175278-35-0)推荐厂家更多厂家(11)

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上海麦克林生化科技股份有限公司	15221275939 021-50706066	沈经理	269348414	询单

4-氧代-8-(三氟甲氧基)-1,4-二氢喹啉-3-羧酸乙酯(175278-35-0)参考资料

Reaxys RN：

PubChem CID：

2737194

4-氧代-8-(三氟甲氧基)-1,4-二氢喹啉-3-羧酸乙酯(175278-35-0) MSDS

基础信息

Name:	Ethyl 4-oxo-8-(trifluoromethoxy)-1 4-dihydroquinoline-3-carboxylate Material Safety Data Sheet
Synonym:
CAS:	175278-35-0

Section 1 - Chemical Product ? MSDS Name:Ethyl 4-oxo-8-(trifluoromethoxy)-1 4-dihydroquinoline-3-carboxylate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175278-35-0	Ethyl 4-oxo-8-(trifluoromethoxy)-1,4-d	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# 175278-35-0: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 235 - 240 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: C13H10F3NO4
Molecular Weight: 301.22

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, acids, 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# 175278-35-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-oxo-8-(trifluoromethoxy)-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# 175278-35-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175278-35-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175278-35-0 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A