69395-13-7

• 常用中文名：4-(2-羟基乙基)苯甲腈
• 常用英文名：4-(2-Hydroxyethyl)benzonitrile
• CAS号：69395-13-7
• 分子式：C₉H₉NO
• 分子量：147.174
• 相关类别： 化学试剂 有机试剂 氰化物/腈
• 发布时间：2018-03-02 08:00:00
• 更新时间：2024-01-03 07:15:19
• 下载msds

名称

• 中文名: 4-(2-羟基乙基)苯甲腈
• 英文名: 4-(2-Hydroxyethyl)Benzonitrile
• 中文别名: 2-(4-氰基苯基)乙醇; 4-(2-羟乙基)苯甲腈
• 英文别名: 4-(2-Hydroxyethyl)benzonitrile; MFCD00052461; Benzonitrile, 4-(2-hydroxyethyl)-

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 300.2±25.0 °C at 760 mmHg
• 熔点: 50-51°C
• 分子式: C₉H₉NO
• 分子量: 147.174
• 闪点: 135.3±23.2 °C
• 精确质量: 147.068420
• PSA: 44.02000
• LogP: 0.80
• 外观性状: 淡黄色固体
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.559
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂，远离强碱存放。

• 稳定性:

  远离氧化物，碱。

• 分子结构:

  1、 摩尔折射率：42.11

  2、 摩尔体积（m³/mol）：130.3

  3、 等张比容（90.2K）：348.3

  4、 表面张力（dyne/cm）：51.0

  5、 极化率（10 ^-24cm ³）：16.69

• 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:2

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积44

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:150

  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：黄色粉末。

  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）：未确定

  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 。

MSDS

Name: 4-(2-Hydroxyethyl)benzonitrile 97% Material Safety Data Sheet Synonym: CAS: 69395-13-7 Section 1 - Chemical Product MSDS Name:4-(2-Hydroxyethyl)benzonitrile 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 69395-13-7 4-(2-Hydroxyethyl)benzonitrile 97% unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed.Moisture sensitive. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. 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: 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 foam, dry chemical, or carbon dioxide. 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. Store under nitrogen. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 69395-13-7: 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: pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 116 - 118 deg C @0.5mmHg Freezing/Melting Point: Not available. 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: C9H9NO Molecular Weight: 147 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Acids, bases, oxidizing agents, reducing agents. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 69395-13-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-(2-Hydroxyethyl)benzonitrile - 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 Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 3276 Packing Group: III IMO Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing Group: III RID/ADR Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 69395-13-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 69395-13-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 69395-13-7 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: 对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。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
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: 3439
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2926909090

合成路线

76113-58-1 ~% 69395-13-7

文献：Chernyak, Natalia; Buchwald, Stephen L. Journal of the American Chemical Society, 2012 , vol. 134, # 43 p. 18147 - 18147,1

873-74-5 ~% 69395-13-7

文献：Journal of the American Chemical Society, , vol. 134, # 30 p. 12466 - 12469

100-27-6 ~% 69395-13-7

文献：Helvetica Chimica Acta, , vol. 64, # 5 p. 1688 - 1703

103-45-7 ~% 69395-13-7

文献：Helvetica Chimica Acta, , vol. 64, # 5 p. 1688 - 1703

544-92-3 104-10-9 ~% 69395-13-7

文献：Journal of the American Chemical Society, , vol. 104, # 7 p. 1937 - 1951

13152-87-9 ~% 69395-13-7

文献：Organic and Biomolecular Chemistry, , vol. 1, # 14 p. 2499 - 2505

143-33-9 104-10-9 ~% 69395-13-7

文献：Helvetica Chimica Acta, , vol. 64, # 5 p. 1688 - 1703

104-10-9 ~% 69395-13-7

文献：Pharmazie, , vol. 37, # 1 p. 13 - 16

上下游产品

上游产品  7
76113-58-1 873-74-5 100-27-6 103-45-7
544-92-3 104-10-9 143-33-9
下游产品  8
5462-71-5 72054-56-9 132224-93-2 619-65-8
136081-18-0 134403-90-0 714568-34-0 76113-58-1

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%