616-04-6

616-04-6结构式

常用中文名：1-甲基海因
常用英文名：1-Methylhydantoin
CAS号：616-04-6
分子式：C₄H₆N₂O₂
分子量：114.10300
相关类别：研究领域其他
发布时间：2018-04-26 08:00:00
更新时间：2024-01-01 19:10:00
N-Methylhydantoin 是细菌降解肌酸酐的产物。

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中文名	甲酰乙内脲
英文名	N-methylhydantoin
中文别名	1-甲基乙内酰脲
英文别名	MFCD00003187 1-methylimidazolidine-2,4-dione EINECS 210-460-6 1-Methylhydantoin

描述	N-Methylhydantoin 是细菌降解肌酸酐的产物。
相关类别	天然产物 >> 其他研究领域 >> 其他
靶点	Human Endogenous Metabolite
参考文献	[1]. Kim J, et al. Cytosine deaminase that hydrolyzes creatinine to N-methylhydantoin in various cytosine deaminase-forming microorganisms. Arch Microbiol (1987) 147:58-63

密度	1.284 g/cm3
熔点	156-157 °C(lit.)
分子式	C₄H₆N₂O₂
分子量	114.10300
精确质量	114.04300
PSA	49.41000
外观性状	白色晶体
折射率	1.491
储存条件	贮存：将密器密封，储存密封的主藏器内，并放在阴凉，干爽的位置。
稳定性	性质与稳定性：常温常压下，或不分解产物。
分子结构	五、分子性质数据： 1、摩尔折射率：25.71 2、摩尔体积（m³/mol）：88.7 3、等张比容（90.2K）：225.4 4、表面张力（dyne/cm）：41.5 5、极化率（10 ^-24cm ³）：10.19
计算化学	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:2 4.可旋转化学键数量:0 5.互变异构体数量:5 6.拓扑分子极性表面积49.4 7.重原子数量:8 8.表面电荷:0 9.复杂度:143 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	物性数据： 1. 熔点（ ℃ ）： 156-160

Name:	1-Methylhydantoin 97% Material Safety Data Sheet
Synonym:	None
CAS:	616-04-6

Section 1 - Chemical Product MSDS Name:1-Methylhydantoin 97% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
616-04-6	1-methylhydantoin	97.0	210-460-6

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 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:
Antidote: None reported.

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 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. 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. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. 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# 616-04-6: 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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 156.00 - 157.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C4H6N2O2
Molecular Weight: 114.10

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 616-04-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-methylhydantoin - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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# 616-04-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 616-04-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 616-04-6 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:

三、生态学数据：

1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

危害码 (欧洲)	Xi: Irritant;
安全声明 (欧洲)	S24/25
WGK德国	3
海关编码	2933990090

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海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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%
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