451-80-9

451-80-9结构式
451-80-9结构式
  • 常用中文名:2-氟代苯乙醚
  • 常用英文名:2-fluorophenetole
  • CAS号:451-80-9
  • 分子式:C8H9FO
  • 分子量:140.15500
  • 发布时间:2018-08-11 17:40:48
  • 更新时间:2024-01-05 11:14:00

化源商城直购

中文名 2-氟代苯乙醚
英文名 1-Ethoxy-2-fluorobenzene
中文别名 2-氟苯乙醚
英文别名 MFCD00017909
2-Fluorophenetole
密度 1.044g/cm3
沸点 174.6ºC at 760mmHg
熔点 -16.7
分子式 C8H9FO
分子量 140.15500
闪点 60.1ºC
精确质量 140.06400
PSA 9.23000
LogP 2.22440
蒸汽压 1.6mmHg at 25°C
折射率 1.471
储存条件

密封储存,放置在阴凉、干燥的地方。

稳定性

按规格使用和贮存,不会发生分解,避免与氧化物接触

分子结构

1、 摩尔折射率:37.55

2、 摩尔体积(m3/mol):134.1

3、 等张比容(90.2K):310.8

4、 表面张力(dyne/cm):28.8

5、 极化率(10 -24cm 3):14.88

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:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积9.2

7.重原子数量:10

8.表面电荷:0

9.复杂度:95.3

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: 未确定

2. 密度(g/mL,25/4℃):未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):-16.7

5. 沸点(ºC,常压):171-174

6. 沸点(ºC,5.2kPa): 未确定

7. 折射率:未确定

8. 闪点(ºF):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(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: 未确定

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 1-Ethoxy-2-fluorobenzene
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:1-Ethoxy-2-fluorobenzene
CAS number:451-80-9

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
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.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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.
Store in closed vessels.
Storage:

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
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C8H9FO
Molecular weight:140.2

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、若无政府许可,勿将材料排入周围环境

危害码 (欧洲) Xi: Irritant;
风险声明 (欧洲) R36/37/38
安全声明 (欧洲) S26-S36
海关编码 2909309090

~85%

451-80-9结构式

451-80-9

文献:JIANGSU HENGRUI MEDICINE CO., LTD.; SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD.; Yang, Fanglong; Tang, Peng Cho; Dong, Qing; Tu, Wangyang; Fan, Jiang; Guan, Dongliang; Shen, Guangyuan; Wang, Yang; Yuan, Jijun; Zhang, Limin Patent: US2013/130997 A1, 2013 ; Location in patent: Paragraph 0121 ;

~98%

451-80-9结构式

451-80-9

文献:Brenner, Eric; Baldwin, Ronald M.; Tamagnan, Gilles Organic Letters, 2005 , vol. 7, # 5 p. 937 - 939

~46%

451-80-9结构式

451-80-9

文献:Stavber, Stojan; Zupan, Marko Journal of Organic Chemistry, 1985 , vol. 50, # 19 p. 3609 - 3612

~%

451-80-9结构式

451-80-9

文献:Swarts Bl. Acad. Belg., 1913 , p. 261 Chem. Zentralbl., 1913 , vol. 84, # II p. 760
海关编码 2909309090
中文概述 2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物(包括亚硝化衍生物)。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素 品名, 成分含量, 用途
Summary 2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%