51953-17-4

51953-17-4结构式

常用中文名：4-羟基嘧啶
常用英文名：4-Pyrimidinol
CAS号：51953-17-4
分子式：C₄H₄N₂O
分子量：96.087
相关类别：医药中间体杂环化合物嘧啶类化合物酮类
发布时间：2018-06-19 16:34:05
更新时间：2024-01-02 13:59:39

中文名	4(3H)-嘧啶酮
英文名	4-Hydroxypyrimidine
中文别名	二氮三烯六环
英文别名	3H-Pyrimidin-4-one 4(1H)-Pyrimidinone 4[1H]-pyrimidinone 1H-Pyrimidin-4-one 4(6)-Hydroxypyrimidine Pyrimidine, 4-hydroxy- 4(3H)-Pyrimidinone Pyrimidin-4(3H)-one 4-PYRIMIDINONE EINECS 224-932-4 MFCD00167178 T6N CNJ DQ 4-PYRIMIDONE 4-Pyrimidinol Pyrimidin-4(1H)-one 4-Hydroxy-pyrimidine 4-Hydroxypyrimidine T6VN DMJ pyrimidin-4-ol T6VM DNJ 4(3H)-Pyrimidone 4-Hydroxypyrimidin

密度	1.3±0.1 g/cm3
沸点	227.2±13.0 °C at 760 mmHg
熔点	166-169 °C(lit.)
分子式	C₄H₄N₂O
分子量	96.087
闪点	91.2±19.8 °C
精确质量	96.032364
PSA	45.75000
LogP	-1.12
外观性状	白色结晶粉末
蒸汽压	0.1±0.5 mmHg at 25°C
折射率	1.568
储存条件	密封、在 0-6 ºC下保存
稳定性	如果遵照规格使用和储存则不会分解，未有已知危险反应
计算化学	1、疏水参数计算参考值（XlogP）：-0.6 2、氢键供体数量：0 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：未确定 6、拓扑分子极性表面积（TPSA）：41.87 7、重原子数量：7 8、表面电荷：0 9、复杂度：137 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
更多	1. 性状：粉末 2. 密度（g/mL,25ºC）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：164-167 5. 沸点（ºC）：未确定 6. 沸点（ºC，0.3mm hg）：未确定 7. 折射率：未确定 8. 闪点（°F）：未确定 9. 比旋光度（ºC）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（kPa,20ºC）：未确定 12. 饱和蒸气压（kPa,60ºC）：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：可溶解的

Name:	4(3H)-Pyrimidone 98+% Material Safety Data Sheet
Synonym:	3H-Pyrimidin-4-on
CAS:	51953-17-4

Section 1 - Chemical Product MSDS Name:4(3H)-Pyrimidone 98+% Material Safety Data Sheet
Synonym:3H-Pyrimidin-4-on

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
51953-17-4	4(3H)-Pyrimidone	98+	257-545-4

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.
Ingestion:
May cause irritation of the digestive tract. 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:
Never give anything by mouth to an unconscious person. Get medical aid. 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. 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:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 51953-17-4: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 163.00 - 165.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C4H4N2O
Molecular Weight: 96.09

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:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 51953-17-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4(3H)-Pyrimidone - 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# 51953-17-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51953-17-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51953-17-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境