3,5-二(三氟甲基)苯甲酸乙酯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品

3,5-二(三氟甲基)苯甲酸乙酯 基本信息

中文名称:
3,5-二(三氟甲基)苯甲酸乙酯 
中文别名:
3,5-BIS(三氟甲基)苯甲酸乙酯;
3,5-二(三氟甲基)苯甲酸乙酯 
英文名称:
Benzoic acid,3,5-bis(trifluoromethyl)-, ethyl ester
英文别名:
ETHYL 3,5-BIS(TRIFLUOROMETHYL)BENZOATE;
3,5-bis-trifluoromethylbenzoic acid ethyl ester 
CAS No.:
96617-71-9
分 子 式:
C11H8F6O2
分 子 量:
286.17
精确分子量:
286.04300
PSA:
26.30000
MDL:
MFCD01320684
风险术语:
R36/37/38
安全术语:
S26S37/S39
分子结构式:
SDS:
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3,5-二(三氟甲基)苯甲酸乙酯 物化性质

沸点:
84/10mm
折射率:
1.4145-1.4165
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。远离氧化剂。

稳定性相关:

常温常压下稳定,避免与强氧化剂接触。

其它信息:

1.      性状:无色液体

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):84

6.      沸点(ºC10mmHg):未确定

7.      折射率(n20/D)1.4145-1.4165

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

3,5-二(三氟甲基)苯甲酸乙酯 安全信息

危险类别码:
36/37/38
安全说明:
S37/39-S26
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi: Irritant;

3,5-二(三氟甲基)苯甲酸乙酯 毒理性

生态数据:

对水是不危害的,若无政府许可,勿将材料排入周围环境。

3,5-二(三氟甲基)苯甲酸乙酯 MSDS

Name: Ethyl 3 5-Bis(Trifluoromethyl)Benzoate 97% Material Safety Data Sheet
Synonym: None Known
CAS: 96617-71-9
Section 1 - Chemical Product   MSDS Name:Ethyl 3 5-Bis(Trifluoromethyl)Benzoate 97% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
96617-71-9 Ethyl 3,5-Bis(Trifluoromethyl)Benzoate 97 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire.

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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 96617-71-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Clear liquid
Color: colorless
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: C11H8F6O2
Molecular Weight: 286.0452

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 96617-71-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 3,5-Bis(Trifluoromethyl)Benzoate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 96617-71-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 96617-71-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 96617-71-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3,5-二(三氟甲基)苯甲酸乙酯 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):3.9

2.氢键供体数量:0

3.氢键受体数量:8

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:19

8.表面电荷:0

9.复杂度:300

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

3,5-二(三氟甲基)苯甲酸乙酯 上游产品

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产品介绍:
产品名称:3,5-二(三氟甲基)苯甲酸乙酯 Cas号:96617-71-9 纯度:99% 包装信息:100kg 价格:洽谈
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