108-96-3 (吡啶酮,4(1H)-Pyridinone)

结构式:
CAS号:
108-96-3
中文名称:
吡啶酮
英文名称:
4(1H)-Pyridinone
分子式:
C5H5NO
分子量:
95.0993010997772
简介:
吡啶酮是一种化学 物质,分子式是C5H5NO。

吡啶酮(108-96-3)名称与标识符

名称

中文别名:
吡啶酮;4-(1H)-吡啶酮;1-吡咯烷硫代羧酸铵盐;吡咯二硫代甲酸铵;1-吡咯烷二硫代羧酸铵盐;吡咯烷二硫代氨基甲酸铵;四次甲基二硫代氨基甲酸铵;四亚甲基二硫代氨基甲酸铵;1-吡咯烷羰基二硫酸铵盐;4-吡啶酚;吡咯烷二硫代甲酸铵;
英文别名:
4(1H)-Pyridinone;TIMTEC-BB SBB005800;G-PYRIDONE;4-(1H)-PYRIDONE;4HPY;4-PYRIDONE;4-PYRIDOL;1,4-DIHYDRO-4-PYRIDINONE;4-HYDROXYPYRIDINE;1,4-DIHYDRO-4-PYRIDINONE FOR SYNTHESIS;4(1H)-pyridone;4-(1H)-Pyridone, , pract;4-HDROXYPYRIDINE;4-oxo-1,4-dihydropyridine;4-PYRIDINOL;4-PYRIDINONE;Hydroxypyridine,4;pyrid-4-one;Pyridin-4(1H)-one;pyridin-4-one;pyridin-4(3H)-one;Hydroxypyridine,4-;EINECS 203-633-2;CS-W007690;1H-pyridin-4-one;H0332;AI3-61970;CHEBI:87614;HYDROXYPYRIDINE, 4-;EINECS 222-380-9;SY112252;UNII-3P2MV07G53;HY-W007690;Q230024;gamma-Pyridone;NS00022560;4-Hydroxypyridine, 95%;CAS-626-64-2;AKOS000121024;3454-03-3;4-HYDROXYPYRIDINE (4-PYRIDINOL);BRN 0105800;.gamma.-Pyridone;NSC 146174;Tox21_303817;NSC-5080;EN300-21574;CHEBI:133125;4-Oxopyridine;NSC-26021;AKOS022377006;FT-0618743;STR01041;W-104968;4-hydroxypridine;MFCD00040458;SB52275;CS-0166783;CHEMBL237459;NSC146174;AC-907/34116018;108-96-3;NSC-146174;SR-1C7;SY003367;CQG;D82355;gamma-Hydroxypyridine;NCGC00357095-01;AM20061387;AC-2927;p-Hydroxypyridine;3P2MV07G53;Butanoic acid,heptafluoro-,1,10-decanediyl ester(9ci);.gamma.-Hydroxypyridine;BS-3730;4-hydroxypyridine, AldrichCPR;DTXSID2052310;MFCD00006419;5-21-07-00152 (Beilstein Handbook Reference);c1201;NSC5080;A8662;NSC 5080;SMR003288679;InChI=1/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7;626-64-2;DTXCID9030882;1,4-dihydropyridin-4-one;FT-0618744;A1E9A648-09AC-4FC9-A7AF-37534D102469;pyridin-4-ol;MLS004491722;EINECS 210-958-3;4-hydroxy-pyridine;PB17041;BCP08909;BBL022970;DB-040853;pyridine, 4-hydroxy-;STL363251;4pyridone;4-Pyridinol; 4-Pyridol; NSC 5080; gamma-Hydroxypyridine;;DB-014976;

标识符

MDL:
MFCD00040458
InChIKey:
GCNTZFIIOFTKIY-UHFFFAOYSA-N
Inchi:
1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
SMILES:
O=C1C=CNC=C1

吡啶酮(108-96-3)物化性质

实验特性

  • LogP : 0.37490
  • PSA : 32.86000
  • 折射率 : 1.5939 (estimate)
  • 沸点 : 230-235 °C12 mm Hg(lit.)
  • 熔点 : 150-151 °C(lit.)
  • 闪点 : 107.8ºC
  • 颜色与性状 : 米色粉末
  • 溶解性 : 未确定
  • 密度 : 1.1418 (rough estimate)

计算特性

  • 精确分子量 : 95.03710
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 95.037
  • 重原子数量 : 7
  • 复杂度 : 121
  • 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) : -1.3
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 29.1

吡啶酮(108-96-3)国际标准相关数据

EINECS:
210-958-3

吡啶酮(108-96-3)生产方法和用途

用途:
医药及有机合成中间体。

吡啶酮(108-96-3)推荐厂家 更多厂家(35)

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吡啶酮(108-96-3) MSDS

基础信息

Name:4-(1H)-Pyridone (Pract) 97% (UV-VIS) Material Safety Data Sheet
Synonym:
CAS:108-96-3
Section 1 - Chemical Product ? MSDS Name:4-(1H)-Pyridone (Pract) 97% (UV-VIS) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
108-96-34-(1H)-Pyridone97203-633-2
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. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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 immediately.
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:
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 immediately.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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 or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 108-96-3: 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: Powder
Color: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 140 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: C5H5NO
Molecular Weight: 95.10

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Not available.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 108-96-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(1H)-Pyridone - 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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 108-96-3: No information available.
Canada
CAS# 108-96-3 is listed on Canada's NDSL List.
CAS# 108-96-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 108-96-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A