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148438-00-0

148438-00-0结构式
148438-00-0结构式

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中文名 3-(三氟甲氧基)苯甲酸甲酯
英文名 Methyl 3-(trifluoromethoxy)benzoate
中文别名 间三氟甲氧基苯甲酸甲酯
英文别名 Methyl 3-trifluoromethoxybenzoate
Methyl 3-(trifluoromethoxy)benzoate
Benzoic acid, 3-(trifluoromethoxy)-, methyl ester
MFCD00041005
密度 1.3±0.1 g/cm3
沸点 204.0±35.0 °C at 760 mmHg
分子式 C9H7F3O3
分子量 220.145
闪点 75.3±20.8 °C
精确质量 220.034729
PSA 35.53000
LogP 3.12
蒸汽压 0.3±0.4 mmHg at 25°C
折射率 1.451
储存条件

保存方法:密闭,阴凉,通风干燥处

稳定性

避氧化物

分子结构

1、摩尔折射率:45.16

2、摩尔体积(cm3/mol):167.7

3、等张比容(90.2K):392.4

4、表面张力(dyne/cm):29.9

5、介电常数:无可用的

6、极化率(10-24cm3):17.9

7、单一同位素质量:220.034729 Da

8、标称质量:220 Da

9、平均质量:220.1453 Da

计算化学

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:6

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35.5

7.重原子数量:15

8.表面电荷:0

9.复杂度:227

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

更多

1. 性状:无色的液体

2. 密度(g/mL, 20 ℃ ):1.445

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):未确定

6. 沸点(ºC 10mmHg):85-87

7. 折射率:1.443-1.445

8. 闪点(ºC):85-87

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(kPa,25ºC):未确定

12. 饱和蒸气压(kPa,60ºC):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:不能拌和或难以拌和

Material Safety Data Sheet

Section1. Identification of the substance
Methyl 3-(trifluoromethoxy)benzoate
Product Name:
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340:IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405:Store locked up

Section3. Composition/information on ingredients.
Methyl 3-(trifluoromethoxy)benzoate
Ingredient name:
CAS number:148438-00-0

Section4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Not specified
Appearance:
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C9H7F3O3
Molecular weight:220.1

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

1、其它有害作用:通常对水是不危害的,若无政府许可,勿将材料排入周围环境

危害码 (欧洲) Xn,Xi
风险声明 (欧洲) R36/38
安全声明 (欧洲) S26-S36
海关编码 2918990090

~74%

148438-00-0结构式

148438-00-0

文献:Kanie, Kiyoshi; Tanaka, Yoichiro; Suzuki, Kazundo; Kuroboshi, Manabu; Hiyama, Tamejiro Bulletin of the Chemical Society of Japan, 2000 , vol. 73, # 2 p. 471 - 484

~52%

148438-00-0结构式

148438-00-0

文献:Kuroboshi, Manabu; Suzuki, Kazundo; Hiyama, Tamejiro Tetrahedron Letters, 1992 , vol. 33, # 29 p. 4173 - 4176

~%

148438-00-0结构式

148438-00-0

文献:Bulletin of the Chemical Society of Japan, , vol. 73, # 2 p. 471 - 484
上游产品  1

下游产品  0

海关编码 2918990090
中文概述 2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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:30.0%
申报要素 品名, 成分含量, 用途
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%