28163-00-0

• 常用中文名：2-氯-4-硝基苯腈
• 常用英文名：2-CHLORO-4-NITROBENZONITRILE
• CAS号：28163-00-0
• 分子式：C₇H₃ClN₂O₂
• 分子量：182.56400
• 相关类别： 有机原料 腈类化合物
• 发布时间：2018-09-23 10:22:57
• 更新时间：2024-01-02 17:14:19
• 【用途一】
  用作染料中间体

名称

• 中文名: 2-氯-4-硝基苯腈
• 英文名: 2-Chloro-4-nitrobenzonitrile
• 中文别名: 2-氯-4-硝基苄腈; 2-氯-4-硝基苯甲腈
• 英文别名: 2-Chlor-4-nitrobenzonitril; 4-nitro-2-chlorobenzonitrile; 2-Chloro-4-nitrobenzotrifluoride; 2-chloro-4-nitrobenzenecarbonitrile; chloronitrobenzenecarbonitrile; 2-Chloro-4-Nitrobenzonitrile; MFCD00052203; 2-chloro-4-nitro-benzonitrile

物化性质

• 密度: 1.47 g/cm3
• 沸点: 337ºC at 760 mmHg
• 熔点: 83-84 °C
• 分子式: C₇H₃ClN₂O₂
• 分子量: 182.56400
• 闪点: 157.6ºC
• 精确质量: 181.98800
• PSA: 69.61000
• LogP: 2.64308
• 外观性状: 淡黄色晶体
• 蒸汽压: 0.000108mmHg at 25°C
• 折射率: 1.599
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性: 如果遵照规格使用和储存则不会分解，未有已知危险反应

  避免氧化物

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:3

  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69.6

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:229

  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：米色粉末

  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）：78-80

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC, KPa）：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（Pa,25ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：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

MSDS

Name: 2-Chloro-4-Nitrobenzonitrile Material Safety Data Sheet Synonym: None Known CAS: 28163-00-0 Section 1 - Chemical Product MSDS Name:2-Chloro-4-Nitrobenzonitrile Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 28163-00-0 2-Chloro-4-Nitrobenzonitrile ca. 100 unlisted Hazard Symbols: XI 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. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration. Chronic: May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration. 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. 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. Do NOT use mouth-to-mouth resuscitation. 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. 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. 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 breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use only in a chemical fume hood. Wash clothing before reuse. 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# 28163-00-0: 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 78 - 80 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: C7H3ClN2O2 Molecular Weight: 182.4862 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: Oxidizing agents, strong bases, strong acids. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 28163-00-0 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Chloro-4-Nitrobenzonitrile - 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: 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# 28163-00-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 28163-00-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 28163-00-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是稍微有危害的，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R20/21/22;R36/37/38
• 安全声明 (欧洲): S36/37/39-S26-S22
• 危险品运输编码: 3276
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2926909090

合成路线

3011-89-0 ~88% 28163-00-0

文献：Yokoyama, Masataka; Yoshida, Sayaka; Imamoto, Tsuneo Synthesis, 1982 , # 7 p. 591 - 592

619-72-7 ~80% 28163-00-0

文献：Du, Bingnan; Jiang, Xiaoqing; Sun, Peipei Journal of Organic Chemistry, 2013 , vol. 78, # 6 p. 2786 - 2791

98606-58-7 ~86% 28163-00-0 7684-30-2

文献：Kokel, Bruno; Menichi, Gabriel; Hubert-Habart, Michel Synthesis, 1985 , # 2 p. 201 - 202

6380-05-8 ~% 28163-00-0

文献：Holmes; Loudon Journal of the Chemical Society, 1940 , p. 1521,1524

856800-39-0 ~% 28163-00-0

文献：Kirsanow; Makitra Zhurnal Obshchei Khimii, 1956 , vol. 26, p. 905; engl. Ausg. S. 1029

100524-03-6 ~% 28163-00-0

文献：Kirsanow; Makitra Zhurnal Obshchei Khimii, 1956 , vol. 26, p. 905; engl. Ausg. S. 1029

7230-61-7 ~% 28163-00-0

文献：Holmes; Loudon Journal of the Chemical Society, 1940 , p. 1521,1524

64-19-7 121-87-9 ~% 28163-00-0

文献：Holmes; Loudon Journal of the Chemical Society, 1940 , p. 1521,1524

119211-32-4 ~% 28163-00-0

文献：Kirsanow; Makitra Zhurnal Obshchei Khimii, 1956 , vol. 26, p. 905; engl. Ausg. S. 1029

上下游产品

上游产品  8
3011-89-0 619-72-7 6380-05-8 856800-39-0
100524-03-6 7230-61-7 64-19-7 121-87-9
下游产品  5
60702-69-4 3939-09-1 99-60-5 127666-99-3
20925-27-3

海关

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%