吡咯酮

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

吡咯酮 基本信息

中文名称:
吡咯酮 
中文别名:
吡咯酮;
Α-吡啶偶姻 
英文名称:
Ethanone,2-hydroxy-1,2-di-2-pyridinyl-
英文别名:
2-hydroxy-1,2-dipyridin-2-ylethanone;
2-hydroxy-1,2-di(pyridin-2-yl)-ethan-1-one;
1,2-bis(2-pyridinyl)-2-hydroxyethan-1-one;
2-hydroxy-1,2-(dipyridine-2-yl)ethane-1-one;
2-hydroxy-[1,2-di(pyridin-2-yl)]ethane-1-one;
a-pyridoin;
Ethanone,2-hydroxy-1,2-di-2-pyridinyl;
2-hydroxy-1,2-di(2-pyridyl)ethan-1-one;
2-hydroxy-1,2-di-pyridin-2-yl-ethanone 
CAS No.:
1141-06-6
分 子 式:
C12H10N2O2
分 子 量:
214.22
精确分子量:
214.07400
PSA:
63.08000
MDL:
MFCD00010691
EINECS:
214-526-5
InChI:
The Key: ZKBDAJDDDOIASC-UHFFFAOYSA-N
危险品标志:
Xi
风险术语:
R36/37/38
安全术语:
S26S37/S39
分子结构式:
SDS:
查看

吡咯酮 物化性质

外观与性状:
橙色至棕色结晶粉末
密度:
1.287g/cm3
熔点:
156-160ºC(lit.)
沸点:
387.6ºC at 760mmHg
闪点:
188.2ºC
折射率:
1.62
蒸汽压:
1.06E-06mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定,避免与强氧化剂接触。

其它信息:

1.      性状:橙色粉末

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):156-160

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,12mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(kPa,55ºC):未确定

12.   饱和蒸气压(kPa,25ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

吡咯酮 安全信息

海关代码:
2933399090
危险类别码:
36/37/38
安全说明:
26-37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi

吡咯酮 MSDS

Name: alpha-Pyridoin 99% Material Safety Data Sheet
Synonym:
CAS: 1141-06-6
Section 1 - Chemical Product   MSDS Name:alpha-Pyridoin 99% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1141-06-6 _-Pyridoin, 99% 214-526-5
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 1141-06-6: Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystalline powder
Color: red-brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: @ 760.00mm Hg
Freezing/Melting Point: 156.00 - 160.00 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: C12H10N2O2
Molecular Weight: 214.22

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1141-06-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
_-Pyridoin, 99% - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 1141-06-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1141-06-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1141-06-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

吡咯酮 海关数据

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%

吡咯酮 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:58.48

2、摩尔体积(cm3/mol):166.3

3、等张比容(90.2K):468.2

4、表面张力(dyne/cm):62.7

5、介电常数:无可用的

6、极化率(10-24cm3):23.18

7、单一同位素质量:214.074228 Da

8、标称质量:214 Da

9、平均质量:214.22 Da

计算化学数据

1.疏水参数计算参考值(XlogP):0.9

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:5

6.拓扑分子极性表面积63.1

7.重原子数量:16

8.表面电荷:0

9.复杂度:245

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:1

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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