5580-33-6
5580-33-6结构式
- 常用中文名：3,4-二甲基苯甲酰胺
- 常用英文名：3,4-dimethylbenzamide
- CAS号：5580-33-6
- 分子式：C9H11NO
- 分子量：149.19000
- 发布时间：2018-08-08 14:20:56
- 更新时间：2024-01-09 18:56:58
| 中文名 | 3,4-二甲基苯甲酰胺 |
|---|---|
| 英文名 | 3,4-dimethylbenzamide |
| 英文别名 |
3,4-dimethyl-benzoic acid amide
3,4-dimethyl-benzamide Benzamide,3,4-dimethyl 3,4-Dimethyl-benzoesaeure-amid MFCD00052960 3,4-Dimethylbenzamid |
| 密度 | 1.06g/cm3 |
|---|---|
| 沸点 | 251.3ºC at 760mmHg |
| 熔点 | 101-103°C |
| 分子式 | C9H11NO |
| 分子量 | 149.19000 |
| 闪点 | 105.8ºC |
| 精确质量 | 149.08400 |
| PSA | 43.09000 |
| LogP | 2.10260 |
| 折射率 | 1.55 |
| 储存条件 | 避光，阴凉干燥处，密封保存 |
| 稳定性 | 常温常压下稳定 |
| 分子结构 | 1、 摩尔折射率：44.83 2、 摩尔体积（m3/mol）：140.6 3、 等张比容（90.2K）：356.9 4、 表面张力（dyne/cm）：41.4 5、 极化率（10 -24cm 3）：17.77 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:1 3.氢键受体数量:1 4.可旋转化学键数量:1 5.互变异构体数量:5 6.拓扑分子极性表面积43.1 7.重原子数量:11 8.表面电荷:0 9.复杂度:156 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：未确定 2. 密度（g/mL,25/4℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：101-103 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率：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（kPa,25ºC）：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：未确定 |
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. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 5580-33-6: 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: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 107 - 109 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: C9H11NO Molecular Weight: 149 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, bases, acids. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5580-33-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 3,4-Dimethylbenzamide - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 5580-33-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5580-33-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5580-33-6 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: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境.
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| 危害码 (欧洲) | Xi |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36/37/39 |
| 海关编码 | 2924299090 |
|
~%
5580-33-6 |
| 文献：Tetrahedron Letters, , vol. 53, # 35 p. 4779 - 4781 |
|
~21%
5580-33-6 |
| 文献：Advanced Synthesis and Catalysis, , vol. 352, # 14-15 p. 2588 - 2598 |
|
~63%
5580-33-6 |
| 文献：Frenzel, Ralf; Domschke, Guenter; Roessler, Ljuba; Mayer, Roland Journal fuer Praktische Chemie/Chemiker-Zeitung, 1993 , vol. 335, # 6 p. 558 - 560 |
|
~%
5580-33-6 |
| 文献：Nippon Kagaku Zasshi, , vol. 79, p. 1272,1274 Chem.Abstr., , p. 5552 |
|
~%
5580-33-6 |
| 文献：Yakugaku Zasshi, , vol. 74, p. 312,314 Chem.Abstr., , p. 3078 |
| 上游产品 5 | |
|---|---|
| 下游产品 0 | |
| 海关编码 | 2924299090 |
|---|---|
| 中文概述 | 2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 包装 |
| Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |