皮考林乙酸乙酯

皮考林乙酸乙酯 基本信息
CAS号 26510-52-1 分子式 C10H11NO3
分子量 193.19900 精确质量  193.07400
PSA  56.26000 LogP  1.21750

基本信息 展开↓

CAS号:
26510-52-1
3D弹球模型:
立即前往扯扯看
分子式:
C10H11NO3
分子量:
193.19900
中文名称:
皮考林乙酸乙酯
英文名称:
ethyl 3-oxo-3-pyridin-2-ylpropanoate
中文别名:
皮考林乙酸乙酯;
3-氧代-3-(吡啶-2-基)丙酸乙酯;
吡啶甲酰乙酸乙酯
英文别名:
ethyl 3-oxo-3-pyridin-2-ylpropanoate;
ethyl 3-oxo-3-(2-pyridyl)propanoate;
ethyl 3-oxo-(2-pyridinyl)propanoate;
3-oxo-3-(2-pyridyl)-propanoic acid ethyl ester;
3-oxo-3-pyridin-2-ylpropionic acid ethyl ester;
ethyl 3-(2-pyridyl)-3-oxopropanoate;
Ethyl 3-(2-pyridyl)-3-oxopropionate;
Ethyl picolinoylacetate;
ethyl 3-oxo-3-(pyridin-2-yl)propanoate;
ethyl 3-oxo-3-(2-pyridyl)propionate
精确分子量/精确质量:
193.07400
极性分子表面积/PSA:
56.26000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00094022
InChI:
InChI=1/C10H11NO3/c1-2-14-10(13)7-9(12)8-5-3-4-6-11-8/h3-6H,2,7H2,1H3

物化性质展开↓

外观与性状:
透明稻黄色至棕色液体
密度:
1.164
沸点:
100-104ºC (0.3 mmHg)
闪点:
121.074ºC
折射率:
1.516-1.519
蒸汽压:
0.005mmHg at 25°C
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):1.164

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):100-104

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:1.516-1.519

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

海关代码:
2933399090
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi

合成路线查看所有的合成路线

  • 2524-52-9

    2-吡啶甲酸乙酯

  • ~91%

  • 26510-52-1

    皮考林乙酸乙酯

  • 2524-52-9

    2-吡啶甲酸乙酯

  • +

  • 141-78-6

    乙酸乙酯

  • ~90%

  • 26510-52-1

    皮考林乙酸乙酯

  • 1121-60-4

    吡啶-2-甲醛

  • +

  • 623-73-4

    重氮乙酸乙酯

  • ~89%

  • 26510-52-1

    皮考林乙酸乙酯

毒理性展开↓

生态数据:

 

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: Ethyl Picolinoylacetate Material Safety Data Sheet
Synonym: None
CAS: 26510-52-1
Section 1 - Chemical Product   MSDS Name:Ethyl Picolinoylacetate Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
26510-52-1 Ethylpicolinoyl Acetate 100 % unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
Ingestion of large amounts may cause gastrointestinal irritation.
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid if irritation or symptoms occur.
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:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash hands before eating. Use only in a well-ventilated area. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Do not get on skin or in eyes. Avoid ingestion and inhalation.
Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Good general ventilation should be sufficient to control airborne levels. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower.
Exposure Limits CAS# 26510-52-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Liquid
Color: clear almost colorless
Odor: Moderate
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 100 - 104 deg C @ .30mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 200 deg C (> 392.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: neglegible in water
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 193.20

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
High temperatures, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 26510-52-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethylpicolinoyl Acetate - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 26510-52-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 26510-52-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 26510-52-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 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
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据


1   摩尔折射率:50.04

2   摩尔体积m3/mol167.1

3   等张比容(90.2K):430.6

4   表面张力dyne/cm44.0

5   极化率10-24cm319.83

计算化学数据


1.疏水参数计算参考值(XlogP):1.3

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:5

5.互变异构体数量:3

6.拓扑分子极性表面积56.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:215

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

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