423768-53-0 (1-环丙基-4-甲酰基-2,5-二甲基-1H-吡咯-3-羧酸乙酯,1H-Pyrrole-3-carboxylicacid, 1-cyclopropyl-4-formyl-2,5-dimethyl-, ethyl ester)

CAS号:
423768-53-0
中文名称:
1-环丙基-4-甲酰基-2,5-二甲基-1H-吡咯-3-羧酸乙酯
英文名称:
1H-Pyrrole-3-carboxylicacid, 1-cyclopropyl-4-formyl-2,5-dimethyl-, ethyl ester
分子式:
C13H17NO3
分子量:
235.278983831406

1-环丙基-4-甲酰基-2,5-二甲基-1H-吡咯-3-羧酸乙酯(423768-53-0)名称与标识符

名称

中文别名:
1-环丙基-4-甲酰基-2,5-二甲基-1H-吡咯-3-羧酸乙酯;
英文别名:
1H-Pyrrole-3-carboxylicacid, 1-cyclopropyl-4-formyl-2,5-dimethyl-, ethyl ester;Ethyl 1-cyclopropyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylate;ethyl 1-cyclopropyl-4-formyl-2,5-dimethylpyrrole-3-carboxylate;423768-53-0;SB62508;DTXSID70381555;AS-9084;ethyl 1-cyclopropyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylate, AldrichCPR;MFCD03659714;CS-0327369;FT-0625834;AKOS027382623;1H-Pyrrole-3-carboxylicacid,1-cyclopropyl-4-formyl-2,5-dimethyl-,ethyl ester;

标识符

MDL:
MFCD03659714
InChIKey:
RVFNMIRKPZAHOV-UHFFFAOYSA-N
Inchi:
1S/C13H17NO3/c1-4-17-13(16)12-9(3)14(10-5-6-10)8(2)11(12)7-15/h7,10H,4-6H2,1-3H3
SMILES:
O(CC)C(C1C(C=O)=C(C)N(C=1C)C1CC1)=O

1-环丙基-4-甲酰基-2,5-二甲基-1H-吡咯-3-羧酸乙酯(423768-53-0)物化性质

实验特性

  • LogP : 2.42900
  • PSA : 48.30000
  • 折射率 : 1.571
  • 沸点 : 391.9°C at 760 mmHg
  • 熔点 : 75 °C
  • 闪点 : 190.8°C
  • 密度 : 1.21

计算特性

  • 精确分子量 : 235.12100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 235.121
  • 重原子数量 : 17
  • 复杂度 : 314
  • 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) : 1.6
  • 拓扑分子极性表面积 : 48.3Ų

1-环丙基-4-甲酰基-2,5-二甲基-1H-吡咯-3-羧酸乙酯(423768-53-0)安全信息

1-环丙基-4-甲酰基-2,5-二甲基-1H-吡咯-3-羧酸乙酯(423768-53-0)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%

1-环丙基-4-甲酰基-2,5-二甲基-1H-吡咯-3-羧酸乙酯(423768-53-0)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单

1-环丙基-4-甲酰基-2,5-二甲基-1H-吡咯-3-羧酸乙酯(423768-53-0) MSDS

基础信息

Name:Ethyl 1-cyclopropyl-4-formyl-2 5-dimethyl-1h-pyrrole-3-carboxylate Material Safety Data Sheet
Synonym:
CAS:423768-53-0
Section 1 - Chemical Product ? MSDS Name:Ethyl 1-cyclopropyl-4-formyl-2 5-dimethyl-1h-pyrrole-3-carboxylate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
423768-53-0Ethyl 1-cyclopropyl-4-formyl-2,5-dimet97%unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive.
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 foam, dry chemical, or carbon dioxide.

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.
Store under an inert atmosphere.

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# 423768-53-0: 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: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 75 - 80 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: C13H17NO3
Molecular Weight: 235.28

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 423768-53-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 1-cyclopropyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-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# 423768-53-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 423768-53-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 423768-53-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A