175203-42-6 (2-[2-(三氟甲基)喹啉-4-基硫代]乙酸甲酯,Methyl 2-2-(Trifluoromethyl)quinolin-4-ylthio-acetate)

快速询单

结构式：

2-[2-(三氟甲基)喹啉-4-基硫代]乙酸甲酯MOL文件

CAS号：

175203-42-6

中文名称：

2-[2-(三氟甲基)喹啉-4-基硫代]乙酸甲酯

英文名称：

Methyl 2-2-(Trifluoromethyl)quinolin-4-ylthio-acetate

分子式：

C₁₃H₁₀F₃NO₂S

分子量：

301.284212589264

2-[2-(三氟甲基)喹啉-4-基硫代]乙酸甲酯(175203-42-6)名称与标识符

名称

中文别名：

2,4-二氯喹唑啉-7-羧酸甲酯;2-[2-(三氟甲基)喹啉-4-基硫代]-乙酸甲酯;2-[2-(三氟甲基)喹啉-4-基硫代]乙酸甲酯;

英文别名：

Acetic acid,2-[[2-(trifluoromethyl)-4-quinolinyl]thio]-, methyl ester;METHYL 2-[2-(TRIFLUOROMETHYL)QUINOLIN-4-YL THIO]-ACETATE;methyl 2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylacetate;methyl ([2-(trifluoromethyl)quinolin-4-yl]thio)acetate;methyl 2-([2-(trifluoromethyl)-4-quinolyl]thio)acetate;methyl 2-(2-(trifluoromethyl)quinolin-4-ylthio)acetate;Aceticacid, [[2-(trifluoromethyl)-4-quinolinyl]thio]-, methyl ester (9CI);BUTTPARK 50\09-16;Methyl 2-[2-(trifluoromethyl)quinolin-4-yl thio]-;METHYL 2-[2-(TRIFLUOROMETHYL)QUINOL-4-YLTHIO]ACETATE;Methyl {[2-(trifluoromethyl)quinolin-4-yl]thio}acetate;METHYL 2-[[2-(TRIFLUOROMETHYL)-4-QUINOLYL]THIO]ACETATE;methyl 2-{[2-(trifluoromethyl)quinolin-4-yl]sulfanyl}acetate;Methyl2-[2-(trifluoromethyl)quinol-4-ylthio]acetate97%;Methyl{[2-(trifluoromethyl)quinolin-4-yl]thio}acetate97%;Methyl {[2-(trifluoromethyl)quinolin-4-yl]thio}acetate 97%;AS-9158;Acetic acid, 2-[[2-(trifluoromethyl)-4-quinolinyl]thio]-, methyl ester;AKOS015852949;A811865;BRD-K07560931-001-01-3;SB72656;Methyl {[2-(trifluoromethyl)quinolin-4-yl]sulfanyl}acetate;Methyl 2-((2-(trifluoromethyl)quinolin-4-yl)thio)acetate;DTXSID10379658;MFCD00219657;Maybridge1_005083;CCG-246498;HMS555P01;methyl 2-[2-(trifluoromethyl)quinolin-4-ylthio]-acetate;methyl 2-[2-(trifluoromethyl)quinolin-4-ylthio]acetate;FT-0628428;175203-42-6;CS-0316404;G73075;

标识符

MDL：

MFCD00219657

InChIKey：

AGLNLBXMPKNXDP-UHFFFAOYSA-N

Inchi：

1S/C13H10F3NO2S/c1-19-12(18)7-20-10-6-11(13(14,15)16)17-9-5-3-2-4-8(9)10/h2-6H,7H2,1H3

SMILES：

S(CC(=O)OC)C1C=C(C(F)(F)F)N=C2C=CC=CC=12

2-[2-(三氟甲基)喹啉-4-基硫代]乙酸甲酯(175203-42-6)物化性质

实验特性

LogP : 3.51870
PSA : 64.49000
熔点 : 96 °C
颜色与性状 : 未确定
溶解性 : 未确定
敏感性 : Stench

计算特性

精确分子量 : 301.03800
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 5
同位素质量 : 301.03843422g/mol
重原子数量 : 20
复杂度 : 351
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） : 3.5
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 64.5Å²

2-[2-(三氟甲基)喹啉-4-基硫代]乙酸甲酯(175203-42-6)安全信息

安全术语： S24/25
安全说明： S22-S26-S36/37/39
风险术语： R20/21/22; R36/37/38
危险品标志： Xi
危害声明：Irritant/Stench
危险类别码： R20/21/22：吸入、皮肤接触和不慎吞咽有害。 R36/37/38：对眼睛、呼吸道和皮肤有刺激作用。

2-[2-(三氟甲基)喹啉-4-基硫代]乙酸甲酯(175203-42-6)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%

2-[2-(三氟甲基)喹啉-4-基硫代]乙酸甲酯(175203-42-6)推荐厂家更多厂家(6)

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江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单

2-[2-(三氟甲基)喹啉-4-基硫代]乙酸甲酯(175203-42-6) MSDS

基础信息

Name:	Methyl 2-{[2-(trifluoromethyl)-4-quinolyl]thio}acetate 97% Material Safety Data Sheet
Synonym:
CAS:	175203-42-6

Section 1 - Chemical Product ? MSDS Name:Methyl 2-{[2-(trifluoromethyl)-4-quinolyl]thio}acetate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175203-42-6	Methyl 2-{[2-(trifluoromethyl)-4-quino	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 175203-42-6: 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: 96 - 98 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: C13H10F3NO2S
Molecular Weight: 301

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 175203-42-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 2-{[2-(trifluoromethyl)-4-quinolyl]thio}acetate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 175203-42-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175203-42-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175203-42-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A