5-Thiazolecarboxylicacid, 4-methyl-2-phenyl-, ethyl ester
- 中文别名：4-甲基-2-苯基-1,3-噻唑-5-甲酸乙酯
- 中文释义：4-甲基-2-苯基-1,3-噻唑-5-甲酸乙酯;2-苯基-4-甲基噻唑-5-甲酸乙酯;4-甲基-2-苯基-1,3-噻唑-5-羧酸乙酯
- 英文别名：ETHYL 4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLATE;
5-Aethoxycarbonyl-4-methyl-2-phenyl-thiazol;
4-Methyl-2-phenyl-thiazol-5-carbonsaeure-aethylester;
5-Ethoxycarbonyl-4-methyl-2-phenyl-thiazol;
ethyl 4-methyl-2-phenylthiazole-5-carboxylate;
ethyl 2-phenyl-4-methylthiazole-5-carboxylate;
4-methyl-2-phenyl-thiazole-5-carboxylic acid ethyl ester
- CAS No.：53715-64-3
- 分子式：C13H13NO2S
- 分子量：247.31
- 精确分子量：247.06700
- PSA：67.43000
- MDL：MFCD00141953
- InChI：InChI=1/C13H13NO2S/c1-3-16-13(15)11-9(2)14-12(17-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
- 分子结构式：
物化性质
- 密度：
- 1.188g/cm3
- 熔点：
- 36-39ºC
- 沸点：
- 150ºC
- 闪点：
- 179.3ºC
- 折射率：
- 1.572
- 其它信息：
1.熔点（°C）：36
2.沸点（°C）：150
安全信息
- 密度：
- 1.188g/cm3
- 熔点：
- 36-39ºC
- 沸点：
- 150ºC
- 闪点：
- 179.3ºC
- 折射率：
- 1.572
- 其它信息：
1.熔点（°C）：36
2.沸点（°C）：150
MSDS
| Name: | Ethyl 4-methyl-2-phenyl-1 3-thiazole-5-carboxylate 97% Material Safety Data Sheet |
| Synonym: | |
| CAS: | 53715-64-3 |
Section 1 - Chemical Product MSDS Name:Ethyl 4-methyl-2-phenyl-1 3-thiazole-5-carboxylate 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 53715-64-3 | Ethyl 4-methyl-2-phenyl-1,3-thiazole-5 | 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:
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 53715-64-3: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 36 - 38 deg C
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: C13H13NO2S
Molecular Weight: 247
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases, amines.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 53715-64-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate - 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# 53715-64-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 53715-64-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 53715-64-3 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
中国海关编码：2934100090
- 概述：
- 2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 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:20.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：68.55
2、 摩尔体积（cm3/mol）：208.0
3、 等张比容（90.2K）：278.5
4、 表面张力（dyne/cm）：45.4
5、 极化率（10-24cm3）：27.17
计算化学数据
1.疏水参数计算参考值（XlogP）:3.6
2.氢键供体数量:0
3.氢键受体数量:4
4.可旋转化学键数量:4
5.互变异构体数量:无
6.拓扑分子极性表面积67.4
7.重原子数量:17
8.表面电荷:0
9.复杂度:266
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
