4-(三氟甲基)苯甲酸乙酯

4-(三氟甲基)苯甲酸乙酯 基本信息
CAS号 583-02-8 分子式 C10H9F3O2
分子量 218.17200 精确质量 　218.05500
PSA 　26.30000 LogP 　2.88210
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
583-02-8
3D弹球模型：
立即前往扯扯看
分子式：
C10H9F3O2
分子量：
218.17200
中文名称：
4-(三氟甲基)苯甲酸乙酯
英文名称：
Ethyl 4-(trifluoromethyl)benzoate
中文别名：
4-(三氟甲基)苯甲酸乙酯;
4-三氟甲基苯甲酸乙酯;
1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridyl)- (8CI);
4,4,4-trifluoro-1-(pyridin-3-yl)butane-1,3-dione;
(3Z)-1,1,1-trifluoro-4-hydroxy-4-pyridin-3-ylbut-3-en-2-one;
4,4,4-Trifluoro-1-(pyridine-3-yl)butane-1,3-dione;
Dimezol;
NSC 68316;
1H-Benzimidazole, 5,6-dimethyl-;
Benzimidazole, 5,6-dimethyl-;
5,6-dimethyl benzimidazole;
5,6-dimethyl-1H-benzimidazole;
5,6-Dimethylbenzimidazole;
Entamide;
M & B 4453;
RD 3803;
UNII-89134SCM7M;
2,2-Dichloro-4'-hydroxy-N-methylacetanilide;
Acetanilide, 2,2-dichloro-4'-hydroxy-N-methyl-;
2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide;
N-(2-BROMOETHYLYL)-PHTALIMIDE;
N-BROMOETHYLPHTHALIMIDE;
N-(2-Bromoethyl)phthalimide;
4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid) - 4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methane;
Basic Red 9;
crystal violet bpc;
crystal violet fn;
crystal violet hl2;
crystal violet o;
crystal violet ss;
genetian violet;
gentersal;
Gentiaverm;
Hectograph violet;
hectograph violet sr;
hecto violet r;
hexamethylparaosaniline chloride;
hexamethyl-p-ro
英文别名：
Ethyl 4-(trifluoromethyl)benzoate;
ETHYL 4-(TRIFLUOROMETHYL)BENZOATE
精确分子量/精确质量：
218.05500
极性分子表面积/PSA：
26.30000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00005544
EINECS：
209-486-0
BRN：
84386
InChI：
The Key: ZQDADDSPMCHZPX-UHFFFAOYSA-N

物化性质展开↓

密度：
1.23 g/cm3
沸点：
90 °C
闪点：
78-80°C/5mm
折射率：
1.447
存储条件/存储方法：

贮存：

将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。

稳定性相关：

稳定性和反应性：

要避免的物料：氧化物。

要分解的产品：一氧化碳和二氧化碳，氟化氢。

其它信息：

一、物性数据

1.       密度：1.447g/mL at 25 °C(lit.

2.       沸点（ºC）： 90

安全信息展开↓

海关代码：
2916399090
危险类别码：
36/37/38
安全说明：
S26-S36
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。
S36:穿戴合适的防护服装。
危险标志：
F

合成路线查看所有的合成路线

  • 51934-41-9

    对碘苯甲酸乙酯

  • +

  • 77152-08-0

    copper(1+),trifluoromethane

  • →

    ~95%

  • 583-02-8

    4-(三氟甲基)苯甲酸乙酯

  • 51934-41-9

    对碘苯甲酸乙酯

  • +

  • 2923-16-2

    三氟乙酸钾

  • →

    ~90%

  • 583-02-8

    4-(三氟甲基)苯甲酸乙酯

  • 51934-41-9

    对碘苯甲酸乙酯

  • +

  • 120120-26-5

    三乙基(三氟甲基)硅烷

  • →

    ~88%

  • 583-02-8

    4-(三氟甲基)苯甲酸乙酯

MSDS 展开↓

Name: Ethyl 4-(trifluoromethyl)benzoate 97% Material Safety Data Sheet
Synonym:
CAS: 583-02-8
Section 1 - Chemical Product   MSDS Name:Ethyl 4-(trifluoromethyl)benzoate 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
583-02-8 Ethyl 4-(trifluoromethyl)benzoate 97% 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.
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# 583-02-8: 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: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 78 - 80 deg C @5mmHg
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: C10H9F3O2
Molecular Weight: 218
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 583-02-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-(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
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# 583-02-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 583-02-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 583-02-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2916399090

概述：
2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 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, 丙烯酸、丙烯酸盐或酯应报明包装
摘要/Summary：
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

分子性质数据：

1、   摩尔折射率：47.63

2、   摩尔体积（m3/mol）：177.3

3、   等张比容（90.2K）：409.1

4、   表面张力（dyne/cm）：28.3

5、   极化率（10-24cm3）：18.88

计算化学数据

四、计算化学数据：

1、   疏水参数计算参考值（XlogP）：-5.6

2、   氢键供体数量：8

3、   氢键受体数量：12

4、   可旋转化学键数量：8

5、   拓扑分子极性表面积（TPSA）：245

6、   重原子数量：35

7、   表面电荷：0

8、   复杂度：871

9、   同位素原子数量：0

10、   确定原子立构中心数量：8

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

上下游相关产品

上游产品

更多

  • 5798-75-4

    4-溴苯甲酸乙酯

  • 81290-20-2

    (三氟甲基)三甲基硅烷

  • 402-43-7

    对溴三氟甲苯

  • 109-94-4

    甲酸乙酯

  • 64-17-5

    乙醇

下游产品

更多

  • 349-95-1

    4-(三氟甲基)苄醇

  • 455-24-3

    4-三氟甲基苯甲酸

  • 455-18-5

    对三氟甲基苯腈

  • 339-59-3

    4-(三氟甲基)亚苯基肼

  • 455-19-6

    对三氟甲基苯甲醛

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP