2578-45-2

• 常用中文名：2-氯-3,5-二硝基吡啶
• 常用英文名：2-Chloro-3,5-dinitropyridine
• CAS号：2578-45-2
• 分子式：C₅H₂ClN₃O₄
• 分子量：203.540
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 硝基吡啶
• 发布时间：2018-09-10 18:45:18
• 更新时间：2024-01-08 11:02:11
• 下载msds

名称

• 中文名: 2-氯-3,5-二硝基吡啶
• 英文名: 2-chloro-3,5-dinitropyridine
• 英文别名: 2-Chloro-3,5-dinitropyridine; MFCD00006233; EINECS 219-937-3; 2-Chlor-3,5-dinitro-pyridin; Pyridine,2-chloro-3,5-dinitro; 2-Chloro3,5-dinitropyridine; Pyridine, 2-chloro-3,5-dinitro-; 3,5-dinitro-2-chloropyridine

物化性质

• 密度: 1.7±0.1 g/cm3
• 沸点: 320.9±37.0 °C at 760 mmHg
• 熔点: 63-65 °C(lit.)
• 分子式: C₅H₂ClN₃O₄
• 分子量: 203.540
• 闪点: 147.9±26.5 °C
• 精确质量: 202.973389
• PSA: 104.53000
• LogP: 0.86
• 外观性状: 淡黄色结晶粉末
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.635
• 储存条件:

  密封于2-8ºC阴凉干燥环境。

• 稳定性:

  如果遵照规格使用和储存则不会分解。

• 分子结构:

  1、摩尔折射率：无可用

  2、 摩尔体积（cm³/mol）： 无可用

  3、 等张比容（90.2K）：无可用

  4、 表面张力（dyne/cm）：无可用

  5、 极化率：无可用

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.5

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积105

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:225

  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）：63-65

  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

MSDS

Name: 2-Chloro-3 5-Dinitropyridine 99% Material Safety Data Sheet Synonym: None Known CAS: 2578-45-2 Section 1 - Chemical Product MSDS Name:2-Chloro-3 5-Dinitropyridine 99% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2578-45-2 2-Chloro-3,5-Dinitropyridine 99% 219-937-3 Hazard Symbols: XI Risk Phrases: 36/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause cardiac disturbances. May cause central nervous system depression. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May cause cardiac abnormalities. Can produce delayed pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Immediately 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: Never give anything by mouth to an unconscious person. 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 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: 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. Containers may explode when heated. Non-combustible, substance itself does not burn but may decompose upon heating to produce irritating, corrosive and/or toxic fumes. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use water spray to cool fire-exposed containers. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray. 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: Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) 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# 2578-45-2: 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: Solid Color: slightly yellow Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 64.00 - 66.00 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: C5H2ClN3O4 Molecular Weight: 203.54 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, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2578-45-2: US6504750 LD50/LC50: CAS# 2578-45-2: Dermal, guinea pig: LD50 = >1 gm/kg; Oral, mouse: LD50 = 50 mg/kg; Oral, rat: LD50 = 50 mg/kg. Carcinogenicity: 2-Chloro-3,5-Dinitropyridine - 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: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/38 Irritating to eyes and skin. Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. WGK (Water Danger/Protection) CAS# 2578-45-2: No information available. Canada CAS# 2578-45-2 is listed on Canada's NDSL List. CAS# 2578-45-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2578-45-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 。 试验方法：口服 摄入剂量： 50毫克/公斤 测试对象：啮齿动物-鼠 毒性类型：急性 毒性作用： 1.肌肉无力 2.胸部或呼吸-紫绀 2 。 试验方法：腹腔 摄入剂量： 10毫克/千克 测试对象：啮齿动物-鼠 毒性类型：急性 毒性作用： 1.嗜睡（普通抑郁活动） 2.惊厥或癫痫阈值的影响 3.肌肉无力 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

• 符号: GHS06
• 信号词: Danger
• 危害声明: H300
• 警示性声明: P264-P301 + P310
• 个人防护装备: Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
• 危害码 (欧洲): T: Toxic;Xi: Irritant;
• 风险声明 (欧洲): R25
• 安全声明 (欧洲): S26-S36/37/39-S45
• 危险品运输编码: UN 2811 6.1/PG 2
• WGK德国: 3
• RTECS号: US6504750
• 包装等级: II
• 危险类别: 6.1

合成路线

2980-33-8 ~94% 2578-45-2

文献：Rasheed, Khalid; Warkentin, James D. Journal of Heterocyclic Chemistry, 1981 , vol. 18, p. 1581 - 1585

5418-51-9 ~% 2578-45-2

文献：Journal of the Chemical Society, , p. 2590,2593

6332-56-5 ~% 2578-45-2

文献：Journal of the Chemical Society, , p. 2590,2593

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