5447-66-5
5447-66-5结构式
- 常用中文名：2,4-二氰基-3-甲基戊二酰胺
- 常用英文名：Pentanediamide,2,4-dicyano-3-methyl-
- CAS号：5447-66-5
- 分子式：C8H10N4O2
- 分子量：194.19100
- 发布时间：2018-12-26 17:21:05
- 更新时间：2024-01-21 10:34:44
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用于有机合成。
| 中文名 | 2,4-二氰基-3-甲基戊二酰胺 |
|---|---|
| 英文名 | 2,4-dicyano-3-methylglutaramide |
| 英文别名 |
2,4-dicyano-3-methylpentanediamide
EINECS 226-665-9 MFCD00008014 |
| 密度 | 1.293g/cm3 |
|---|---|
| 沸点 | 574ºC at 760mmHg |
| 熔点 | 159-160ºC(lit.) |
| 分子式 | C8H10N4O2 |
| 分子量 | 194.19100 |
| 闪点 | 300.9ºC |
| 精确质量 | 194.08000 |
| PSA | 133.76000 |
| LogP | 0.27326 |
| 折射率 | 1.524 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:-1.3 2.氢键供体数量:2 3.氢键受体数量:4 4.可旋转化学键数量:4 5.互变异构体数量:6 6.拓扑分子极性表面积134 7.重原子数量:14 8.表面电荷:0 9.复杂度:311 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:2 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：白色结晶性粉末 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）：159-160 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,15mmHg）：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：未确定 |
Synonym:Alpha, Gamma-Dicyano-Beta-Methyl Glutaramide Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 23/24 33 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Toxic by inhalation and in contact with skin. Danger of cumulative effects.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. 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: Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use agent most appropriate to extinguish fire. 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: 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 contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: 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: 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# 5447-66-5: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 159.00 - 160.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H10N4O2 Molecular Weight: 194.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Strong acids, strong bases, strong oxidizing agents, strong reducing 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# 5447-66-5: MA3000000 LD50/LC50: Not available. Carcinogenicity: 2,4-Dicyano-3-Methylglutaramide - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: II IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: II RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/24 Toxic by inhalation and in contact with skin. R 33 Danger of cumulative effects. 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# 5447-66-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5447-66-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5447-66-5 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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毒理学数据: 1、急性毒性：小鼠经静脉LD50：180mg/kg； CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
| 符号 |
GHS06 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H301 + H311 + H331 |
| 警示性声明 | P261-P280-P301 + P310-P311 |
| 个人防护装备 | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| 危害码 (欧洲) | T |
| 风险声明 (欧洲) | R23/24;R33 |
| 安全声明 (欧洲) | S24/25 |
| 危险品运输编码 | UN 3439 6.1/PG 2 |
| RTECS号 | MA3000000 |
| 包装等级 | III |
| 危险类别 | 6.1(b) |
| 海关编码 | 2926909090 |
|
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5447-66-5 |
| 文献：Day; Thorpe Journal of the Chemical Society, 1920 , vol. 117, p. 1472 |
| 海关编码 | 2926909090 |
|---|---|
| 中文概述 | 2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 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 |
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |