175203-82-4 (5-三氟甲氧基-吲哚-2-羧酸乙酯,Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate)

CAS号:
175203-82-4
中文名称:
5-三氟甲氧基-吲哚-2-羧酸乙酯
英文名称:
Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate
分子式:
C12H10F3NO3
分子量:
273.20791387558

5-三氟甲氧基-吲哚-2-羧酸乙酯(175203-82-4)名称与标识符

名称

中文别名:
5-(三氟甲氧基)-1H-吲哚-2-羧酸乙酯;异丁醛二乙缩醛;5-三氟甲氧基-1H-吲哚-2-羧酸乙酯;5-三氟甲氧基-吲哚-2-羧酸乙酯;
英文别名:
Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate;1H-Indole-2-carboxylicacid, 5-(trifluoromethoxy)-, ethyl ester;ETHYL 5-(TRIFLUOROMETHOXY)INDOLE-2-CARBOXYLATE;5-(Trifluoromethoxy)indole-2-carboxylic acid ethyl ester;Ethyl 5-trifluoromethoxy-1H-indole-2-carboxylate;BUTTPARK 30\04-69;Ethyl 5-(trifluoromethoxy)in;ETHYL 5-(TRIFLUOROMETHYL)-INDOLE-2-CARBOXYLATE;2-(Ethoxycarbonyl)-5-(trifluoromethoxy)-1H-indole;Ethyl 5-trifluoromethyloxy-1H-indole-2-carboxylate;Ethyl 5-(trifluoromethoxy)indole-2-carboxylate 97%;Ethyl5-(trifluoromethoxy)-1H-indole-2-carboxylate97%;Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate 97%;TS-00919;AMY17642;Maybridge1_005094;3-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxylate;CCG-246345;CS-0315101;ethyl5-(trifluoromethoxy)indole-2-carboxylate;HMS555P12;AKOS007930755;5-trifluoromethoxy-1H-indole-2-carboxylic acid ethyl ester;175203-82-4;DTXSID10371930;MFCD00219837;SCHEMBL384385;A811888;ethyl5-(trifluoromethoxy)-1H-indole-2-carboxylate;1H-Indole-2-carboxylic acid, 5-(trifluoromethoxy)-, ethyl ester;1H-Indole-2-carboxylicacid,5-(trifluoromethoxy)-,ethyl ester;FT-0626112;G14831;ethyl 5-(trifluoromethoxy)- 1H-indole-2-carboxylate;

标识符

MDL:
MFCD00219837
InChIKey:
LLGKTDNPBIFJKJ-UHFFFAOYSA-N
Inchi:
1S/C12H10F3NO3/c1-2-18-11(17)10-6-7-5-8(19-12(13,14)15)3-4-9(7)16-10/h3-6,16H,2H2,1H3
SMILES:
FC(OC1C=CC2=C(C=1)C=C(C(=O)OCC)N2)(F)F

5-三氟甲氧基-吲哚-2-羧酸乙酯(175203-82-4)物化性质

实验特性

  • LogP : 3.24320
  • PSA : 51.32000
  • 折射率 : 1.594
  • 沸点 : 387.1±37.0 °C at 760 mmHg
  • 熔点 : 144 °C
  • 蒸气压 : 0.0±0.9 mmHg at 25°C
  • 闪点 : 187.9±26.5 °C
  • 溶解度 : Very 微溶 (0.11 g/L) (25 ºC),
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.389±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 273.06100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 273.061
  • 重原子数量 : 19
  • 复杂度 : 335
  • 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) : 无
  • 互变异构体数量 : 5
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 51.3Ų

5-三氟甲氧基-吲哚-2-羧酸乙酯(175203-82-4)国际标准相关数据

EINECS:

5-三氟甲氧基-吲哚-2-羧酸乙酯(175203-82-4)海关数据

海关编码:
2933990090
海关数据:

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 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:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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5-三氟甲氧基-吲哚-2-羧酸乙酯(175203-82-4)参考资料

Reaxys RN:
PubChem CID:

5-三氟甲氧基-吲哚-2-羧酸乙酯(175203-82-4) MSDS

基础信息

Name:Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS:175203-82-4
Section 1 - Chemical Product ? MSDS Name:Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
175203-82-4Ethyl 5-(trifluoromethoxy)-1H-indole-297%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# 175203-82-4: 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: brown
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: C12H10F3NO3
Molecular Weight: 273

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents.
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# 175203-82-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 5-(trifluoromethoxy)-1H-indole-2-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# 175203-82-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175203-82-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175203-82-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A