53715-64-3 (4-甲基-2-苯基-1,3-噻唑-5-甲酸乙酯,ethyl 4-methyl-2-phenyl-thiazole-5-carboxylate)

CAS号:
53715-64-3
中文名称:
4-甲基-2-苯基-1,3-噻唑-5-甲酸乙酯
英文名称:
ethyl 4-methyl-2-phenyl-thiazole-5-carboxylate
分子式:
C13H13NO2S
分子量:
247.3128221035

4-甲基-2-苯基-1,3-噻唑-5-甲酸乙酯(53715-64-3)名称与标识符

名称

中文别名:
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-phenylthiazole-5-carboxylate;4-METHYL-2-PHENYL-5-THIAZOLECARBOXYLIC ACID, ETHYL ESTER;Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate;4-Methyl-2-phenyl-thiazol-5-carbonsaeure-aethylester;4-methyl-2-phenyl-thiazole-5-carboxylic acid ethyl ester;5-Aethoxycarbonyl-4-methyl-2-phenyl-thiazol;5-Ethoxycarbonyl-4-methyl-2-phenyl-thiazol;ethyl 2-phenyl-4-methylthiazole-5-carboxylate;ethyl 4-methyl-2-phenyl-thiazole-5-carboxylate;Maybridge1_008302;MLS000696107;DTXSID00372512;53715-64-3;HMS565B08;A829747;D86794;CS-0216886;SR-01000643392-1;EN300-64122;BB 0238164;4-Methyl-2-phenyl-thiazole-5-carboxylic acid ethyl ester;12F-303S;5-Thiazolecarboxylic acid, 4-methyl-2-phenyl-, ethyl ester;AMY1756;CCG-54286;CHEMBL1343212;4-methyl-2-phenylthiazole-5-carboxylic acid ethyl ester;FYPLITQTMHJFKK-UHFFFAOYSA-N;SMR000333453;MFCD00141953;SCHEMBL1316281;J-521046;HMS2649D20;AKOS005079855;FT-0626098;ethyl 4-methyl-2-phenyl thiazole-5-carboxylate;Z48854170;2,3,4-Tri-O-benzoyl-alpha-D-glucopyranuronicacidmethylestertrichloroacetimidate;STL141126;DB-004479;ETHYL4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLATE;

标识符

MDL:
MFCD00141953
InChIKey:
FYPLITQTMHJFKK-UHFFFAOYSA-N
Inchi:
1S/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
SMILES:
S1C(C(=O)OCC)=C(C)N=C1C1C=CC=CC=1

4-甲基-2-苯基-1,3-噻唑-5-甲酸乙酯(53715-64-3)物化性质

实验特性

  • LogP : 3.29520
  • PSA : 67.43000
  • 沸点 : 150 ºC
  • 熔点 : 36-39 ºC

计算特性

  • 精确分子量 : 247.06700
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 4
  • 同位素质量 : 247.06669983g/mol
  • 重原子数量 : 17
  • 复杂度 : 266
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.6
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 67.4Ų

4-甲基-2-苯基-1,3-噻唑-5-甲酸乙酯(53715-64-3)安全信息

4-甲基-2-苯基-1,3-噻唑-5-甲酸乙酯(53715-64-3)海关数据

海关编码:
2934100090
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

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%

4-甲基-2-苯基-1,3-噻唑-5-甲酸乙酯(53715-64-3)上下游

4-甲基-2-苯基-1,3-噻唑-5-甲酸乙酯(53715-64-3)相关文献

4-甲基-2-苯基-1,3-噻唑-5-甲酸乙酯(53715-64-3) MSDS

基础信息

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 NamecontentEINECS#
53715-64-3Ethyl 4-methyl-2-phenyl-1,3-thiazole-597%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