1943-84-6

• 常用中文名：十六烷基异氰酸酯
• 常用英文名：Hexadecyl isocyanate
• CAS号：1943-84-6
• 分子式：C₁₇H₃₃NO
• 分子量：267.45000
• 发布时间：2018-09-23 16:59:57
• 更新时间：2024-01-10 16:57:29
• 下载msds

名称

• 中文名: 十六烷基异氰酸酯
• 英文名: 1-isocyanatohexadecane
• 中文别名: 1-异氰酸十六酯
• 英文别名: Hexadecylisocyanat; hexadecylisocyanate; EINECS 217-736-5; MFCD00037048; Hexadecane,1-isocyanato; n-hexadecyl isocyanate

物化性质

• 密度: 0.86g/cm3
• 沸点: 295.4ºC at 760mmHg
• 分子式: C₁₇H₃₃NO
• 分子量: 267.45000
• 闪点: 131.9ºC
• 精确质量: 267.25600
• PSA: 29.43000
• LogP: 5.80350
• 外观性状: 无色液体
• 蒸汽压: 0.0027mmHg at 25°C
• 折射率: n20/D 1.448(lit.)
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。冷藏温度4ºC。

• 稳定性:

  对水敏感。避免与不相容材料，热源，湿空气，水接触。

  与强氧化剂，酸，强碱，醇类，胺反应。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:8.7

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:15

  5.互变异构体数量:无

  6.拓扑分子极性表面积29.4

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:209

  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：黄色或浅黄色透明液体

  2. 密度（g/mL,25℃）：0.861

  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,14mmHg）：186-188

  7. 折射率(n20/D)：1.448

  8. 闪点（ºC）：＞110

  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,25ºC）：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

MSDS

Name: Hexadecyl isocyanate 97% Material Safety Data Sheet Synonym: None CAS: 1943-84-6 Section 1 - Chemical Product MSDS Name:Hexadecyl isocyanate 97% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1943-84-6 Hexadecyl isocyanate 97 217-736-5 Hazard Symbols: XN Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.Moisture sensitive.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Lachrymator (substance which increases the flow of tears). Skin: Causes skin irritation. Organic isocyanates can cause local irritation and allergic reactions. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. May cause irritation of the respiratory tract with burning pain in the nose and throat, coughing, wheezing, shortness of breath and pulmonary edema. The toxicological properties of this substance have not been fully investigated. At high concentrations, isocyanates affect mucous membranes of the respiratory tract and may lead to fatal pulmonary edema. Exposure to low and often even unmeasurable isocyanate concentration results in sensitization. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. Chronic overexposure to isocyanates has been reported to cause lung damage, including decreased lung fuction, which may be permanent. 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. Do NOT allow victim to rub eyes or keep eyes closed. 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. 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: 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. Use water spray to keep fire-exposed containers cool. Containers may explode when heated. Extinguishing Media: Use carbon dioxide or dry chemical. Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Cool containers with flooding quantities of water until well after fire is out. 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. Do not get water inside containers. 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. Do not allow contact with water. Wash clothing before reuse. Keep from contact with moist air and steam. 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.) Store protected from moisture. 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# 1943-84-6: 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: Solid Color: white to off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 186-188 deg C @ 14mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: .8610 Molecular Formula: CH3(CH2)14CH2NCO Molecular Weight: 267.46 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, moisture, excess heat, exposure to moist air or water. Incompatibilities with Other Materials: Moisture, strong oxidizing agents, strong bases. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1943-84-6 unlisted. LD50/LC50: Not available. Carcinogenicity: Hexadecyl isocyanate - 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: ISOCYANATES, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 2206 Packing Group: III IMO Shipping Name: ISOCYANATES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 2206 Packing Group: III RID/ADR Shipping Name: ISOCYANATES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 2206 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. 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 28A After contact with skin, wash immediately with plenty of water. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. 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# 1943-84-6: No information available. Canada CAS# 1943-84-6 is listed on Canada's NDSL List. CAS# 1943-84-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1943-84-6 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对环境有危害，对水体有污染，禁止进入水体。

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H312-H315-H319-H332-H335
• 警示性声明: P261-P280-P305 + P351 + P338
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): 23-26-28-37/39
• 危险品运输编码: UN 2206 6.1/PG 3
• 海关编码: 2929109000

合成路线

506-12-7 ~% 1943-84-6

文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 7 p. 2700 - 2713

75-44-5 1602-97-7 ~% 1943-84-6

文献：J. Med. Chem., , vol. 7, p. 97 - 101

143-27-1 32315-10-9 ~% 1943-84-6

文献：Journal of Materials Chemistry, , vol. 16, # 4 p. 351 - 358

75-44-5 143-27-1 ~% 1943-84-6

文献：Justus Liebigs Annalen der Chemie, , vol. 562, p. 75,1114

上下游产品

上游产品  4
506-12-7 75-44-5 143-27-1 32315-10-9
下游产品  2
2409-15-6 6312-93-2

海关

海关编码	2929109000
中文概述	2929109000. 其他异氰酸酯. 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
Summary	2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%