10558-44-8
10558-44-8结构式
- 常用中文名：双(2-噻吩)甲肟
- 常用英文名：bis(2-thienyl) ketoxime
- CAS号：10558-44-8
- 分子式：C9H7NOS2
- 分子量：209.28800
- 相关类别： 医药中间体 杂环化合物 噻吩类化合物
- 发布时间：2018-04-24 08:00:00
- 更新时间：2024-01-08 13:43:40
| 中文名 | 双(2-噻吩)甲肟 |
|---|---|
| 英文名 | N-(dithiophen-2-ylmethylidene)hydroxylamine |
| 中文别名 | 双(2-噻吩)酮肟 |
| 英文别名 |
2,2'-Dithienylketoxim
di2-thienylmethanone oxime MFCD00209632 HMS547O06 |
| 密度 | 1.38 g/cmsup>3 |
|---|---|
| 沸点 | 172.2ºC |
| 熔点 | 125ºC |
| 分子式 | C9H7NOS2 |
| 分子量 | 209.28800 |
| 闪点 | 361.1ºC |
| 精确质量 | 208.99700 |
| PSA | 89.07000 |
| LogP | 3.03620 |
| 蒸汽压 | 7.58E-06mmHg at 25°C |
| 折射率 | 1.698 |
| 储存条件 | 密封于阴凉干燥处。 |
| 稳定性 | 遵照规格使用和储存则不会分解。 |
| 分子结构 | 1、 摩尔折射率：58.44 2、 摩尔体积（cm3/mol）：151.4 3、 等张比容（90.2K）：416.6 4、 表面张力（dyne/cm）：57.3 5、 极化率（10-24cm3）：23.17 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:3.5 2.氢键供体数量:1 3.氢键受体数量:4 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89.1 7.重原子数量:13 8.表面电荷:0 9.复杂度:190 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）：134 5. 沸点（ºC,常压）：无可用 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:Bis-(thien-2-yl)ketone oxim Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. 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. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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: 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# 10558-44-8: 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: cream Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 125 - 127 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: C9H7NOS2 Molecular Weight: 209 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 10558-44-8 unlisted. LD50/LC50: Not available. Carcinogenicity: Di2-thienylmethanone oxime - 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 10558-44-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 10558-44-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 10558-44-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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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。
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| 危害码 (欧洲) | Xi:Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S37/39 |
| 海关编码 | 2934999090 |
|
~90%
10558-44-8 |
| 文献：WO2004/33440 A1, ; Page 314-315 ; WO 2004/033440 A1 |
|
~92%
10558-44-8 |
| 文献：US2004/106794 A1, ; Page 175 ; US 20040106794 A1 |
|
~%
10558-44-8 |
| 文献：Journal of the American Chemical Society, , vol. 135, # 44 p. 16344 - 16347 |
|
~%
10558-44-8 |
| 文献：Journal of the American Chemical Society, , vol. 135, # 44 p. 16344 - 16347 |
| 海关编码 | 2934999090 |
|---|---|
| 中文概述 | 2934999090. 其他杂环化合物. 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% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |