237385-98-7 (4-苯基-5-三氟甲基噻吩-2-羧酸甲酯,Methyl 4-Phenyl-5-(trifluoromethyl)thiophene-2-carboxylate)

快速询单

结构式：

4-苯基-5-三氟甲基噻吩-2-羧酸甲酯MOL文件

CAS号：

237385-98-7

中文名称：

4-苯基-5-三氟甲基噻吩-2-羧酸甲酯

英文名称：

Methyl 4-Phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

分子式：

C₁₃H₉F₃O₂S

分子量：

286.269572973251

4-苯基-5-三氟甲基噻吩-2-羧酸甲酯(237385-98-7)名称与标识符

名称

中文别名：

4-苯基-5-三氟甲基噻吩-2-羧酸甲酯;

英文别名：

2-Thiophenecarboxylicacid, 4-phenyl-5-(trifluoromethyl)-, methyl ester;Methyl 4-phenyl-5-(trifluoromethyl)-thiophene-2-carboxylate;Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate;QC-6069;Methyl4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate;AKOS025312321;MFCD00110251;FT-0628658;methyl 4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylate;DTXSID10381796;SCHEMBL403196;methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, AldrichCPR;PS-7185;CS-0316321;237385-98-7;A816873;4-Phenyl-5-trifluoromethyl-thiophene-2-carboxylic acid methyl ester;2-(Methoxycarbonyl)-4-phenyl-5-(trifluoromethyl)thiophene, Methyl 4-phenyl-5-(trifluoromethyl)-2-thenoate;DB-017730;

标识符

MDL：

MFCD00110251

InChIKey：

RDMSDMSSVFMCKQ-UHFFFAOYSA-N

Inchi：

1S/C13H9F3O2S/c1-18-12(17)10-7-9(8-5-3-2-4-6-8)11(19-10)13(14,15)16/h2-7H,1H3

SMILES：

S1C(C(=O)OC)=CC(C2C=CC=CC=2)=C1C(F)(F)F

4-苯基-5-三氟甲基噻吩-2-羧酸甲酯(237385-98-7)物化性质

实验特性

LogP : 4.22050
PSA : 54.54000
沸点 : 120 °C
蒸气压 : 0.0±0.8 mmHg at 25°C
闪点 : 163.6±27.9 °C
密度 : 1.3±0.1 g/cm3

计算特性

精确分子量 : 286.02800
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 4
同位素质量 : 286.02753519g/mol
重原子数量 : 19
复杂度 : 326
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） : 4.3
拓扑分子极性表面积 : 54.5Å²

4-苯基-5-三氟甲基噻吩-2-羧酸甲酯(237385-98-7)安全信息

安全术语： S24/25
安全说明： S24/25
风险术语： R36/37/38
危险品标志： F
危害声明：Harmful/Flammable
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-苯基-5-三氟甲基噻吩-2-羧酸甲酯(237385-98-7)国际标准相关数据

EINECS：

4-苯基-5-三氟甲基噻吩-2-羧酸甲酯(237385-98-7)海关数据

海关编码：

2934999090

海关数据：

中国海关编码：

2934999090

概述：

2934999090. 其他杂环化合物. 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

Summary：

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-苯基-5-三氟甲基噻吩-2-羧酸甲酯(237385-98-7)推荐厂家更多厂家(3)

公司名称	手机号/电话	联系人	QQ	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
上海麦克林生化科技股份有限公司	15221275939 021-50706066	沈经理	269348414	询单
上海蒽特尼缇科技有限公司	15221732413 15221732413	周经理	1571810270	询单

4-苯基-5-三氟甲基噻吩-2-羧酸甲酯(237385-98-7)参考资料

Reaxys RN：

PubChem CID：

2781442

4-苯基-5-三氟甲基噻吩-2-羧酸甲酯(237385-98-7) MSDS

基础信息

Name:	Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate tech Material Safety Data Sheet
Synonym:
CAS:	237385-98-7

Section 1 - Chemical Product ? MSDS Name:Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate tech Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
237385-98-7	Methyl 4-phenyl-5-(trifluoromethyl)thi		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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
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# 237385-98-7: 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: Liquid
Color: yellow
Odor: stench
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: C13H9F3O2S
Molecular Weight: 286.27

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 237385-98-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 4-phenyl-5-(trifluoromethyl)thiophene-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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 237385-98-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 237385-98-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 237385-98-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A