2199-47-5 (4-乙基-3,5-二甲基-1H-吡咯-2-甲酸乙酯,Ethyl 4-Ethyl-3,5-dimethylpyrrole-2-carboxylate)

快速询单

结构式：

4-乙基-3,5-二甲基-1H-吡咯-2-甲酸乙酯MOL文件

CAS号：

2199-47-5

中文名称：

4-乙基-3,5-二甲基-1H-吡咯-2-甲酸乙酯

英文名称：

Ethyl 4-Ethyl-3,5-dimethylpyrrole-2-carboxylate

分子式：

C₁₁H₁₇NO₂

分子量：

195.258183240891

4-乙基-3,5-二甲基-1H-吡咯-2-甲酸乙酯(2199-47-5)名称与标识符

名称

中文别名：

4-乙基-3,5-二甲基-1H-吡咯-2-甲酸乙酯;

英文别名：

1H-Pyrrole-2-carboxylicacid, 4-ethyl-3,5-dimethyl-, ethyl ester;ETHYL 4-ETHYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE;1H-Pyrrole-2-carboxylicacid,4-ethyl-3,5-;2,4-dimethyl-3-ethyl-5-ethoxycarbonylpyrrole;2-carbethoxy-4-ethyl-3,5-dimethylpyrrole;2-ethoxycarbonyl-3,5-dimethyl-4-ethylpyrrole;3,5-Dimethyl-4-ethyl-1H-pyrrole-2-carboxylic acid ethyl ester;4-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester;ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate;ETHYL 3,5-DIMETHYL-4-ETHYL-2-PYRROLECARBOXYLATE;ethyl 3,5-dimethyl-4-ethylpyrrole-2-carboxylate;D95719;NSC22702;PS-4177;NSC-22702;2,4-Dimethyl-3-ethyl-5-carbethoxy-pyrrole;SR-01000643292-1;FT-0626082;2199-47-5;SCHEMBL11644037;A4720;AKOS001647592;CCG-54177;ethyl 3,5-dimethyl-4-ethylpyrrole 2-carboxylate;Ethyl 4-ethyl-3,5-dimethyl-1h-pyrrole-2-carboxylic;GIGBRYTXWUHNAZ-UHFFFAOYSA-N;MFCD00030376;1H-Pyrrole-2-carboxylicacid,4-ethyl-3,5-dimethyl-,ethylester;ETHYL4-ETHYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE;AM20090209;HMS547E03;1H-Pyrrole-2-carboxylic acid, 4-ethyl-3,5-dimethyl-, ethyl ester;Maybridge1_002027;BP-13126;SB62399;DTXSID20176413;NSC 22702;

标识符

MDL：

MFCD00030376

InChIKey：

GIGBRYTXWUHNAZ-UHFFFAOYSA-N

Inchi：

1S/C11H17NO2/c1-5-9-7(3)10(12-8(9)4)11(13)14-6-2/h12H,5-6H2,1-4H3

SMILES：

O(CC)C(C1=C(C)C(CC)=C(C)N1)=O

4-乙基-3,5-二甲基-1H-吡咯-2-甲酸乙酯(2199-47-5)物化性质

实验特性

LogP : 2.37060
PSA : 42.09000
熔点 : 87 °C

计算特性

精确分子量 : 195.12600
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 4
同位素质量 : 195.125928785g/mol
重原子数量 : 14
复杂度 : 206
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） : 2.8
拓扑分子极性表面积 : 42.1Å²

4-乙基-3,5-二甲基-1H-吡咯-2-甲酸乙酯(2199-47-5)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

4-乙基-3,5-二甲基-1H-吡咯-2-甲酸乙酯(2199-47-5)海关数据

海关编码：

2933990090

海关数据：

中国海关编码：

2933990090

概述：

2933990090. 其他仅含氮杂原子的杂环化合物. 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：

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-乙基-3,5-二甲基-1H-吡咯-2-甲酸乙酯(2199-47-5)推荐厂家更多厂家(10)

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4-乙基-3,5-二甲基-1H-吡咯-2-甲酸乙酯(2199-47-5) MSDS

基础信息

Name:	Ethyl 4-ethyl-3 5-dimethyl-1h-pyrrole-2-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS:	2199-47-5

Section 1 - Chemical Product ? MSDS Name:Ethyl 4-ethyl-3 5-dimethyl-1h-pyrrole-2-carboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2199-47-5	Ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-	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# 2199-47-5: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 87 - 88 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: C11H17NO2
Molecular Weight: 195

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 2199-47-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-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: 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# 2199-47-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2199-47-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2199-47-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A