64038-64-8 (2-巯基-1H-咪唑-4-羧酸乙酯,Ethyl 2-mercapto-1H-imidazole-4-carboxylate)

快速询单

结构式：

2-巯基-1H-咪唑-4-羧酸乙酯MOL文件

CAS号：

64038-64-8

中文名称：

2-巯基-1H-咪唑-4-羧酸乙酯

英文名称：

Ethyl 2-mercapto-1H-imidazole-4-carboxylate

分子式：

C₆H₈N₂O₂S

分子量：

172.204919815063

2-巯基-1H-咪唑-4-羧酸乙酯(64038-64-8)名称与标识符

名称

中文别名：

2,3-二氢-2-巯基-1H-咪唑-4-甲酸乙酯;2-巯基咪唑-4-甲酸乙酯;2-巯基咪唑-4-羧酸乙酯;4-乙氧基羰基咪唑-2-硫醇;4-乙氧羰基咪唑-2-巯基;2,3-二氢-2-硫羰基-1H-咪唑-4-羧酸乙酯;2-巯基-1H-咪唑-4-羧酸乙酯;

英文别名：

Ethyl 2-mercapto-1H-imidazole-4-carboxylate;1H-Imidazole-4-carboxylicacid, 2,3-dihydro-2-thioxo-, ethyl ester;4-ETHOXYCARBONYLIMIDAZOLE-2-THIOL;ethyl 2-mercapto-1H-imidazole-5-carboxylate;ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate;2-mercaptoimidazole-4-ethyl formate;DTXSID10214070;SR-01000639950-1;1H-Imidazole-4-carboxylic acid, 2,3-dihydro-2-thioxo-, ethyl ester;ethyl-2-mercapto-1H-imidazole-4-carboxylate;2-mercapto-1 H-imidazole-4-carboxylic acid ethyl ester;2-Mercapto-5-carbethoxyimidazole;64038-64-8;USAF EL-63;Imidazole, 2-mercapto-5-carbethoxy-;Ethyl 2-sulphanyl-1H-imidazole-4-carboxylate;HMS555O06;MFCD00068042;2-mercapto-1h-imidazole-4-carboxylic acid ethyl ester;Maybridge1_005066;4-Ethoxycarbonyl-1H-imidazole-2-thiol;AKOS024388179;Imidazole-2-thiol, 5-ethoxycarbonyl-;ethyl2-mercapto-1h-imidazole-4-carboxylate;ethyl 2-mercapto-4-imidazole carboxylate;CS-0151702;A19011;EN300-6851194;Ethyl 2-sulfanyl-1H-imidazole-4-carboxylate #;Ethyl 2-sulfanyl-1H-imidazole-4-carboxylate;2-mercapto-3H-imidazole-4-carboxylic acid ethyl ester;AKOS006227566;SCHEMBL269623;CCG-50585;2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid ethyl ester;D82357;2,3-Dihydro-2-thioxo-1H-imidazole-4-carboxylic acid, ethyl ester;J-520766;ethyl 2-thio-1h-imidazole-4-carboxylate;FT-0625962;ethyl 2-mercaptoimidazole-4-carboxylate;Z1198159497;ethyl 2-sulfanylidene-2,3-dihydro-1H-imidazole-4-carboxylate;FS-1109;ethyl 2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate;AB-016/30038020;

标识符

MDL：

MFCD02091509

InChIKey：

PONOGPICUOALRU-UHFFFAOYSA-N

Inchi：

1S/C6H8N2O2S/c1-2-10-5(9)4-3-7-6(11)8-4/h3H,2H2,1H3,(H2,7,8,11)

SMILES：

S=C1NC=C(C(=O)OCC)N1

2-巯基-1H-咪唑-4-羧酸乙酯(64038-64-8)物化性质

实验特性

LogP : 0.87510
PSA : 93.78000
折射率 : 1.605
沸点 : 254.3°C at 760 mmHg
熔点 : 191 °C
闪点 : 107.6°C
颜色与性状 : 。
溶解性 : 。
密度 : 1.35

计算特性

精确分子量 : 172.03100
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 3
同位素质量 : 172.031
重原子数量 : 11
复杂度 : 225
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） : 0.2
互变异构体数量 : 7
表面电荷 : 0
拓扑分子极性表面积 : 82.4A^2

2-巯基-1H-咪唑-4-羧酸乙酯(64038-64-8)安全信息

安全术语： S26;S37/39
安全说明： S26-S37/39
风险术语： R36/37/38
危险品标志： Xi
危害声明：Irritant
警示性声明：P264+P280+P305+P351+P338+P337+P313
储存条件： storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
信号词： warning

2-巯基-1H-咪唑-4-羧酸乙酯(64038-64-8)海关数据

海关编码：

2933290090

海关数据：

中国海关编码：

2933290090

概述：

2933290090. 其他结构含非稠合咪唑环的化合物. 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:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-巯基-1H-咪唑-4-羧酸乙酯(64038-64-8)推荐厂家更多厂家(19)

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上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单

2-巯基-1H-咪唑-4-羧酸乙酯(64038-64-8)参考资料

Reaxys RN：

PubChem CID：

2736338

2-巯基-1H-咪唑-4-羧酸乙酯(64038-64-8) MSDS

基础信息

Name:	Ethyl 2-mercapto-1H-imidazole-4-carboxylate 97% Material Safety Data Sheet
Synonym:	4-Ethoxycarbonylimidazole-2-thio
CAS:	64038-64-8

Section 1 - Chemical Product ? MSDS Name:Ethyl 2-mercapto-1H-imidazole-4-carboxylate 97% Material Safety Data Sheet
Synonym:4-Ethoxycarbonylimidazole-2-thio

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
64038-64-8	Ethyl 2-mercapto-1H-imidazole-4-carbox	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 64038-64-8: 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: Solid
Color: off-white - pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 191 - 193 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: C6H8N2O2S
Molecular Weight: 172

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, bases, reducing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 64038-64-8: NI8590000 LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-mercapto-1H-imidazole-4-carboxylate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 64038-64-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 64038-64-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64038-64-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A