| 中文名 | 2-甲基-6-苯基苯并噻唑 |
|---|---|
| 英文名 | 2-methyl-6-phenyl-1,3-benzothiazole |
| 英文别名 |
2-Methyl-6-phenylbenzothiazole
benzothiazole,2-methyl-6-phenyl 2-Methyl-6-phenyl-benzothiazol MFCD00086016 |
| 密度 | 1.199g/cm3 |
|---|---|
| 沸点 | 194.7ºC |
| 熔点 | 90-95ºC |
| 分子式 | C14H11NS |
| 分子量 | 225.30900 |
| 闪点 | 187ºC |
| 精确质量 | 225.06100 |
| PSA | 41.13000 |
| LogP | 4.27170 |
| 蒸汽压 | 1.29E-05mmHg at 25°C |
| 折射率 | 1.667 |
| 储存条件 | 密闭于阴凉干燥环境中 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 分子结构 | 1、 摩尔折射率：69.98 2、 摩尔体积（m3/mol）：187.8 3、 等张比容（90.2K）：499.4 4、 表面张力（dyne/cm）：49.9 5、 极化率（10-24cm3）：27.74 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:4.4 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:1 5.互变异构体数量:无 6.拓扑分子极性表面积41.1 7.重原子数量:16 8.表面电荷:0 9.复杂度:237 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：无可用 2. 密度（g/mL,25/4℃）：无可用 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：90-95 5. 沸点（ºC,常压）：194.7/760 mmHg 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：无可用 8. 闪点（ºC）：无可用 9. 比旋光度（º）：无可用 10. 自燃点或引燃温度（ºC）：无可用 11. 蒸气压（kPa,25ºC）：无可用 12. 饱和蒸气压（kPa,60ºC）：无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）：无可用 15. 临界压力（KPa）：无可用 16. 油水（辛醇/水）分配系数的对数值：无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）：无可用 19. 溶解性：无可用 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. Chronic: Not available. 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. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. Extinguishing Media: Use 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 107559-02-4: Personal Protective Equipment Eyes: Not available. 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 194.7 deg C Freezing/Melting Point: 89 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: C14H11NS Molecular Weight: 225.1437 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 107559-02-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Methyl-6-phenylbenzothiazole - 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: WGK (Water Danger/Protection) CAS# 107559-02-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 107559-02-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 107559-02-4 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: 该物质对环境可能有危害，对水体应给予特别注意。
|
| 安全声明 (欧洲) | S24/25 |
|---|---|
| 海关编码 | 2934200090 |
|
~66%
107559-02-4 |
| 文献：Organic Letters, , vol. 11, # 2 p. 317 - 320 |
|
~75%
107559-02-4 |
| 文献：Russian Chemical Bulletin, , vol. 42, # 11 p. 1925 - 1926 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 11 p. 2008 - 2009 |
|
~88%
107559-02-4 |
| 文献：Russian Journal of Organic Chemistry, , vol. 32, # 12 p. 1803 - 1811 |
|
~91%
107559-02-4 |
| 文献：Angewandte Chemie - International Edition, , vol. 47, # 42 p. 8059 - 8063 |
|
~%
107559-02-4 |
| 文献：US2763646 , ; |
| 海关编码 | 2934200090 |
|---|---|
| 中文概述 | 2934200090. 其他含一个苯并噻唑环系的化合物. 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% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
