1141-06-6 (吡咯酮,a-Pyridoin (>80%))

结构式:
CAS号:
1141-06-6
中文名称:
吡咯酮
英文名称:
a-Pyridoin (>80%)
安全信息:
分子式:
C12H10N2O2
分子量:
214.220002651215
简介:
吡咯酮,英文名为2-hydroxy-1,2-di-2-pyridylethanone,分子式是C12H10N2O2,分子量为214.22,CAS登记号为1141-06-6,橙色粉末,化工中间体一种。
相关分类:

吡咯酮(1141-06-6)名称与标识符

名称

中文别名:
吡咯酮;Α-吡啶偶姻;1,3-二(4-氟苯甲酰)苯;
英文别名:
Ethanone,2-hydroxy-1,2-di-2-pyridinyl-;ALPHA-PYRIDOIN;A-PYRIDOIN;2-Hydroxy-1,2-di(2-pyridinyl)ethanone;2-hydroxy-1,2-di-2-pyridylethanone;α-pyridoin;2-hydroxy-1,2-dipyridin-2-ylethanone;1,2-bis(2-pyridinyl)-2-hydroxyethan-1-one;2-hydroxy-[1,2-di(pyridin-2-yl)]ethane-1-one;2-hydroxy-1,2-(dipyridine-2-yl)ethane-1-one;2-hydroxy-1,2-di(2-pyridyl)ethan-1-one;2-hydroxy-1,2-di(pyridin-2-yl)-ethan-1-one;2-hydroxy-1,2-di-pyridin-2-yl-ethanone;Ethanone,2-hydroxy-1,2-di-2-pyridinyl;2-HYDROXY-1,2-DI(PYRIDIN-2-YL)ETHANONE;F86982;2-hydroxy-1,2-bis(pyridin-2-yl)ethan-1-one;CS-0108935;alpha-Pyridoin, 99%;2-Hydroxy-1,2-di(pyridin-2-yl)ethan-1-one;NSC-24017;1141-06-6;AKOS009031386;Ethanone,2-di-2-pyridinyl-;alpha -Pyridoin;Alpha-Pyridoin (>80%);NSC24017;Ketone, hydroxy-2-pyridylmethyl 2-pyridyl;DTXSID601318438;SCHEMBL2855016;NS00044675;.alpha.-Pyridoin;NSC 24017;FT-0622069;AS-64342;Ethanone, 2-hydroxy-1,2-di-2-pyridinyl-;EINECS 214-526-5;J-003055;2-Hydroxy-1,2-di(2-pyridinyl)ethanone #;Ketone, hydroxy-2-pyridylmethyl 2-pyridyl (6CI,7CI,8CI); 2-Hydroxy-1,2-di-2-pyridinylethanone; 2-Hydroxy-1,2-bis(pyridin-2-yl)ethanone; 2-Pyridoin; NSC 24017; a-Pyridoin;I+/--Pyridoin;2-hydroxy-1,2-bis(pyridin-2-yl)ethanone;

标识符

MDL:
MFCD00010691
InChIKey:
ZKBDAJDDDOIASC-UHFFFAOYSA-N
Inchi:
1S/C12H10N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8,11,15H
SMILES:
OC(C(C1C=CC=CN=1)=O)C1C=CC=CN=1

吡咯酮(1141-06-6)物化性质

实验特性

  • LogP : 1.39290
  • PSA : 63.08000
  • 折射率 : 1.6660 (estimate)
  • 沸点 : 354.35°C (rough estimate)
  • 熔点 : 156-160 °C (lit.)
  • 闪点 : 188.2°C
  • 颜色与性状 : 橙色粉末
  • 溶解性 : 未确定
  • 密度 : 1.2042 (rough estimate)

计算特性

  • 精确分子量 : 214.07400
  • 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 : 214.074228
  • 重原子数量 : 16
  • 复杂度 : 245
  • 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 : 1
  • 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) : 0.9
  • 互变异构体数量 : 5
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 63.1

吡咯酮(1141-06-6)国际标准相关数据

EINECS:
214-526-5

吡咯酮(1141-06-6)海关数据

海关编码:
2933399090
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

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%

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吡咯酮(1141-06-6)相关文献

吡咯酮(1141-06-6)参考资料

Beilstein:
214-526-5
PubChem CID:

吡咯酮(1141-06-6) MSDS

基础信息

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 NamecontentEINECS#
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