100491-29-0 (1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代吡啶并[2,3-b]吡啶-3-羧酸乙酯,7-Chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester)

快速询单

结构式：

1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代吡啶并[2,3-b]吡啶-3-羧酸乙酯MOL文件

CAS号：

100491-29-0

中文名称：

1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代吡啶并[2,3-b]吡啶-3-羧酸乙酯

英文名称：

7-Chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester

安全信息：

分子式：

C₁₇H₁₀ClF₃N₂O₃

分子量：

382.721113681793

API：

Tosufloxacin

1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代吡啶并[2,3-b]吡啶-3-羧酸乙酯(100491-29-0)名称与标识符

名称

中文别名：

7-氯-1-(2,4-二氟苯基)-6-氟-4-氧-1,4-二氢-1,8-萘啶-3-羧酸乙酯;7-氯-1-(2,4-二氟苯基)-6-氟-4-氧代-1,4-二氢-1,8-萘啶-3-甲酸乙酯;1-(2,4-二氟苯基)-7-Cl-6-F-4-O-羟吡啶[2,3-b]吡啶-3-甲酸乙酯;2,4-二氟苯基萘啶羧酸乙酯;2-甲基-4-氧代-4,5,6,7-四氢-1H-吲哚-3-羧酸;甲酸乙酯1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代羟基吡啶[2,3-B]吡啶-3-羧酸;1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代吡啶并[2,3-b]吡啶-3-羧酸乙酯;

英文别名：

1,8-Naphthyridine-3-carboxylicacid, 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester;7-Chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester;Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate;1,8-Naphthyridine-3-carboxylicacid, 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo...;7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester;ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHLORO-6-FLUORO-4-OXOHYDROPYRIDINO[2,3-B]PYRIDINE-3-C;ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE;Ethyl 1-(2,4-difluorophenyl)-7-Cl-6-F-4-O-hydropyridino[2,3-b]pyridine-3-carboxylate;ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate;7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester;AK162118;ST067113;Ethyl 1-(2,4-Difluorophenyl)-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate;AMY15545;ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate;C17H10ClF3N2O3;JLSXYCZRMYCIMY-UHFFFAOYSA-N;Oprea1_565735;ethyl 1-(2,4-difluorophenyl)-7-chloro-6-fluoro-4-oxohydropyridino[2,3-b]pyridi ne-3-carboxylate;AKOS024283394;NS00015550;7-Chloro-1-(2,4-difluoro-phenyl)-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester;AS-16045;7-Chloro-1-(2,4-difluoro-phenyl)-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl es;FT-0664699;MFCD01863285;CS-0114163;1,8-Naphthyridine-3-carboxylic acid,7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester;BCP21058;SCHEMBL3236130;ETHYL 7-CHLORO-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-4-OXO-1,4-DIHYDRO[1,8]NAPHTHYRIDINE-3-CARBOXYLATE;7-Chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl;100491-29-0;ethyl 7-chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate;EC 422-360-1;ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-chloro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate;E1180;DTXSID30361479;DB-058439;7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester; Ethyl 1-(2,4-Difluorophenyl)-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate;;

标识符

MDL：

MFCD01863285

InChIKey：

JLSXYCZRMYCIMY-UHFFFAOYSA-N

Inchi：

1S/C17H10ClF3N2O3/c1-2-26-17(25)10-7-23(13-4-3-8(19)5-11(13)20)16-9(14(10)24)6-12(21)15(18)22-16/h3-7H,2H2,1H3

SMILES：

ClC1=C(C=C2C(C(C(=O)OCC)=CN(C3C=CC(=CC=3F)F)C2=N1)=O)F

1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代吡啶并[2,3-b]吡啶-3-羧酸乙酯(100491-29-0)物化性质

实验特性

LogP : 3.63310
PSA : 61.19000
折射率 : 1.589
沸点 : 502.504°C at 760 mmHg
熔点 : 213.0 to 217.0 deg-C
闪点 : 257.7°C
颜色与性状 : 无可用
溶解性 : 无可用
密度 : 1.4752 (estimate)

计算特性

精确分子量 : 382.03300
氢键供体数量 : 0
氢键受体数量 : 8
可旋转化学键数量 : 4
同位素质量 : 382.033
重原子数量 : 26
复杂度 : 606
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） : 4
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 59.5

1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代吡啶并[2,3-b]吡啶-3-羧酸乙酯(100491-29-0)安全信息

符号： GHS07 GHS09
安全术语： S37/39-26
安全说明： 37/39-26
风险术语： R36/37/38
危险品标志： Xi
危害声明：H317-H411
警示性声明：P261-P272-P273-P280-P302+P352+P333+P313+P362+P364-P391-P501
提示语：警告
储存条件： Inert atmosphere,2-8°C
PackingGroup： III
危险类别码： 36/37/38
信号词： Warning

1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代吡啶并[2,3-b]吡啶-3-羧酸乙酯(100491-29-0)海关数据

海关编码：

29339980

1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代吡啶并[2,3-b]吡啶-3-羧酸乙酯(100491-29-0)推荐厂家更多厂家(28)

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1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代吡啶并[2,3-b]吡啶-3-羧酸乙酯(100491-29-0)上下游

2-(2,6-二氯-5-氟烟酰基)-3-((2,4-二氟苯基)氨基)丙烯酸乙酯 2,4-二氟苯胺 2,6-二氯-5-氟吡啶-3-羧酸乙酯氟氯烟酸 2,6-二氯-5-氟烟酰氯 2,6-二氯-5-氟烟酰乙酸乙酯

1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代吡啶并[2,3-b]吡啶-3-羧酸乙酯(100491-29-0)参考资料

Reaxys RN：

4766094

PubChem CID：

253661440

1-(2,4-二氟苯基)-7-氯-6-氟-4-氧代吡啶并[2,3-b]吡啶-3-羧酸乙酯(100491-29-0) MSDS

基础信息

Name:	Ethyl Material Safety Data Sheet
Synonym:
CAS:	100491-29-0

Section 1 - Chemical Product ? MSDS Name:Ethyl Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
100491-29-0	Ethyl-1-(2,4-difluorophenyl)-7-Cl-6-F-	99%	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:

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 foam, dry chemical, or carbon dioxide.

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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 100491-29-0: 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: Powder
Color: almost white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 212-215 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: C17H10ClF3N2O3
Molecular Weight: 382.5298

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acetic anhydride, acid chlorides, carbon dioxide.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 100491-29-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl-1-(2,4-difluorophenyl)-7-Cl-6-F-4-oxohydropyridino[2,3 - 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# 100491-29-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 100491-29-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 100491-29-0 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A