3,3,3-三氟-3-[(2-四氢噻吩乙基)甲基]丙酸

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学

3,3,3-三氟-3-[(2-四氢噻吩乙基)甲基]丙酸 基本信息

中文名称:
3,3,3-三氟-3-[(2-四氢噻吩乙基)甲基]丙酸 
中文别名:
3,3,3-三氟-(2-四氢噻嗯基甲基)丙酸;
3,3,3-三氟-3-[(2-四氢噻吩基)甲基]丙酸;
3,3,3-三氟-(2-四氢噻吩甲基)丙酸 
英文名称:
3,3,3-Trifluoro-3-[(2-tetrahydrothienyl)methyl]propionic acid
英文别名:
3,3,3-TRIFLUORO-(2-TETRAHYDROTHIENYLMETHYL)PROPIONIC ACID;
3,3,3-trifluoro-2-(thiolan-2-ylmethyl)propanoic acid;
3,3,3-Trifluoro-(2-tetrahydrothienylmethyl)propionic acid 
CAS No.:
480438-83-3
分 子 式:
C8H11F3O2S
分 子 量:
228.23
精确分子量:
228.04300
PSA:
62.60000
MDL:
MFCD03427208
InChI:
InChI=1/C8H11F3O2S/c9-8(10,11)6(7(12)13)4-5-2-1-3-14-5/h5-6H,1-4H2,(H,12,13)/p-1/t5-,6+/m0/s1
分子结构式:
SDS:
查看

3,3,3-三氟-3-[(2-四氢噻吩乙基)甲基]丙酸 物化性质

密度:
1.376 g/mL at 25ºC(lit.)
沸点:
235ºC(lit.)
闪点:
>230 °F
折射率:
n20/D >1.4620(lit.)
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:固体

2.       密度(g/mL,25/4):1.376

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):235

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:1.462

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

3,3,3-三氟-3-[(2-四氢噻吩乙基)甲基]丙酸 安全信息

海关代码:
2934999090
危险标志:
Xn,Xi

3,3,3-三氟-3-[(2-四氢噻吩乙基)甲基]丙酸 毒理性

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

3,3,3-三氟-3-[(2-四氢噻吩乙基)甲基]丙酸 MSDS

Name: 3 3 3-Trifluoro-(2-tetrahydrothienylmethyl)propionic acid Material Safety Data Sheet
Synonym: 3-(Tetrahydrothiophen-2-yl)-2-trifluoromethylpropionic aci
CAS: 480438-83-3
Section 1 - Chemical Product   MSDS Name:3 3 3-Trifluoro-(2-tetrahydrothienylmethyl)propionic acid Material Safety Data Sheet
Synonym:3-(Tetrahydrothiophen-2-yl)-2-trifluoromethylpropionic aci

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
480438-83-3 3,3,3-Trifluoro-(2-tetrahydrothienylme 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# 480438-83-3: 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: Not available.
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: C8H11F3O2S
Molecular Weight: 228.23

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 480438-83-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,3,3-Trifluoro-(2-tetrahydrothienylmethyl)propionic acid - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 480438-83-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 480438-83-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 480438-83-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3,3,3-三氟-3-[(2-四氢噻吩乙基)甲基]丙酸 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
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3,3,3-三氟-3-[(2-四氢噻吩乙基)甲基]丙酸 分子结构与计算化学数据

分子结构数据

1摩尔折射率:无可用

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

计算化学数据

1、   疏水参数计算参考值(XlogP):3.1

2、   氢键供体数量:0

3、   氢键受体数量:5

4、   可旋转化学键数量:2

5、   拓扑分子极性表面积(TPSA):40.1

6、   重原子数量:14

7、   表面电荷:-1

8、   复杂度:212

9、   同位素原子数量:0

10、   确定原子立构中心数量:2

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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