113728-13-5

• 常用中文名：甘氨酸-7-氨基-4-甲基香豆素氢溴酸盐
• 常用英文名：2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)acetamide hydrobromide
• CAS号：113728-13-5
• 分子式：C₁₂H₁₃BrN₂O₃
• 分子量：313.147
• 发布时间：2019-01-01 07:21:15
• 更新时间：2024-04-02 14:15:39

名称

• 中文名: 甘氨酸-7-氨基-4-甲基香豆素氢溴酸盐
• 英文名: h-gly-amc hbr
• 中文别名: 甘氨酰-7-胺-4-甲基香豆素氢溴酸盐
• 英文别名: AcetaMide,2-aMino-N-(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)-,hydrobroMide; GLYCINE-AMC HBR; Glycine-7-amino-4-methylcoumarin hydrobromide; MFCD00058452; GLYCINE-7-AMIDO-4-METHYLCOUMARIN*HYDROBR; Acetamide, 2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide (1:1); GLYCINE 7-AMIDO-4-METHYLCOUMARIN HYDROBROMIDE; GLYCINE 7-AMIDO-4-METHYLCOUMARIN HYDROBROMIDE SALT; N-(4-Methyl-2-oxo-2H-chromen-7-yl)glycinamide hydrobromide (1:1); 2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)acetamide hydrobromide; Glycine-7-amido-4-methylcoumarin hydrobromide

物化性质

• 沸点: 495.2ºC at 760mmHg
• 熔点: 300ºC
• 分子式: C₁₂H₁₃BrN₂O₃
• 分子量: 313.147
• 闪点: 253.3ºC
• 精确质量: 312.010956
• PSA: 85.33000
• LogP: 2.73000
• 蒸汽压: 6.04E-10mmHg at 25°C
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。与干燥剂一起存放。

• 稳定性:

  常温常压下稳定，避免与不相容材料接触。与强氧化剂反应。

• 分子结构:

  1、摩尔折射率：无可用的

  2、摩尔体积（cm³/mol）：无可用的

  3、等张比容（90.2K）：无可用的

  4、表面张力（dyne/cm）：无可用的

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：无可用的

  7、单一同位素质量：312.010947 Da

  8、标称质量：312 Da

  9、平均质量：313.1472 Da

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：0.5

  2、 氢键供体数量：2

  3、 氢键受体数量：3

  4、 可旋转化学键数量：2

  5、 互变异构体数量：2

  6、 拓扑分子极性表面积（TPSA）：83

  7、 重原子数量：17

  8、 表面电荷：1

  9、 复杂度：365

  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：白色或类白色粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：300

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，28mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：不溶于水

MSDS

Name: Glycine-7-amido-4-methylcoumarin hydrobromide Material Safety Data Sheet Synonym: None Known CAS: 113728-13-5 Section 1 - Chemical Product MSDS Name:Glycine-7-amido-4-methylcoumarin hydrobromide Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 113728-13-5 Glycine-7-amido-4-methylcoumarin hydro 100 unlisted 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: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. 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: Treat symptomatically and supportively. 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 foam, dry chemical, or carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 113728-13-5: 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: off-white Odor: odorless pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: > 300 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: practically insoluble in water Specific Gravity/Density: Molecular Formula: C12H13BrN2O3 Molecular Weight: 313.0066 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 113728-13-5 unlisted. LD50/LC50: Not available. Carcinogenicity: Glycine-7-amido-4-methylcoumarin hydrobromide - 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# 113728-13-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 113728-13-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 113728-13-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 安全声明 (欧洲): S24/25