英语词典化工词典

4(1H)-Pyridinone

4(1H)-Pyridinone

  • 中文别名：吡咯烷二硫代甲酸铵
  • 中文释义：吡咯烷二硫代甲酸铵;吡啶酮
  • 英文别名：4-HYDROXYPYRIDINE;
    4(1h)-pyridinone;
    4-PYRIDOL;
    4-oxo-1,4-dihydropyridine;
    4(1H)-PYRIDINONE;
    4HPY;
    4-PYRIDONE;
    4-PYRIDINONE;
    pyrid-4-one;
    4-PYRIDINOL;
    pyridin-4-one;
    Pyridin-4(1H)-one;
    4-(1H)-PYRIDONE;
    Hydroxypyridine,4;
    4(1H)-pyridone;
    G-PYRIDONE;
    1,4-DIHYDRO-4-PYRIDINONE FOR SYNTHESIS;
    4-(1H)-Pyridone;
    4-HDROXYPYRIDINE;
    4-(1H)-Pyridone, , pract;
    1,4-DIHYDRO-4-PYRIDINONE 
  • CAS No.：108-96-3
  • 分子式：C5H5NO
  • 分子量：95.10
  • 精确分子量：95.03710
  • PSA：32.86000
  • MDL：MFCD00040458
  • InChI：The Key: GCNTZFIIOFTKIY-UHFFFAOYSA-N
  • 分子结构式：

物化性质

外观与性状：
米色粉末
密度：
1.111 g/cm3
熔点：
150-151 °C(lit.)
沸点：
230-235 °C12 mm Hg(lit.)
闪点：
107.8ºC
折射率：
1.513
蒸汽压：
0.265mmHg 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，避免与不相容材料接触。

吡咯烷二硫代甲酸铵 安全信息

WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
安全说明：
S26-S36
RTECS号：
UU7701450
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。
S36:穿戴合适的防护服装。
危险标志：
Xi: Irritant;

安全信息

外观与性状：
米色粉末
密度：
1.111 g/cm3
熔点：
150-151 °C(lit.)
沸点：
230-235 °C12 mm Hg(lit.)
闪点：
107.8ºC
折射率：
1.513
蒸汽压：
0.265mmHg 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，避免与不相容材料接触。

吡咯烷二硫代甲酸铵 安全信息

WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
安全说明：
S26-S36
RTECS号：
UU7701450
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。
S36:穿戴合适的防护服装。
危险标志：
Xi: Irritant;

MSDS

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 Name content EINECS#
108-96-3 4-(1H)-Pyridone 97 203-633-2
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

分子结构与计算化学数据

分子结构数据

1、摩尔折射率：25.74

2、摩尔体积（cm3/mol）：85.5

3、等张比容（90.2K）：209.2

4、表面张力（dyne/cm）：35.7

5、介电常数：无可用的

6、极化率（10-24cm3）：10.2

7、单一同位素质量：95.037114 Da

8、标称质量：95 Da

9、平均质量：95.0993 Da

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：1

3、 氢键受体数量：2

4、 可旋转化学键数量：0

5、 互变异构体数量：3

6、 拓扑分子极性表面积（TPSA）：29.1

7、 重原子数量：7

8、 表面电荷：0

9、 复杂度：121

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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