56651-58-2

• 常用中文名：1-异氰基甲基-2-甲苯
• 常用英文名：2-methylbenzyl isocyanate
• CAS号：56651-58-2
• 分子式：C₉H₉NO
• 分子量：147.17400
• 相关类别： 化学试剂 有机试剂 氰酸酯/异氰酸酯
• 发布时间：2018-04-15 08:00:00
• 更新时间：2024-01-08 16:22:35
• 下载msds

名称

• 中文名: 2-甲基苄基异氰酸酯
• 英文名: 1-(isocyanatomethyl)-2-methylbenzene
• 中文别名: 2-甲基异氰酸苄酯
• 英文别名: R-(+)-methylbenzyl isocyanate; (2-methylphenyl)methanisocyanate; 2-tolylmethyl isocyanate; methylbenzyl isocyanate; 2-Methylbenzyl isocyanate; (S)-methylbenzyl isocyanate; MFCD00673058; 1-isocyanatomethyl-2-methyl-benzene

物化性质

• 密度: 1.059 g/mL at 25 °C(lit.)
• 沸点: 226 °C(lit.)
• 分子式: C₉H₉NO
• 分子量: 147.17400
• 闪点: 210 °F
• 精确质量: 147.06800
• PSA: 29.43000
• LogP: 1.83080
• 外观性状: 透明无色至黄色液体
• 折射率: n20/D 1.528(lit.)
• 储存条件:

  保持贮藏器密封

  放入紧密的贮藏器内，储存在阴凉，干燥的地方

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：45.19

  2、 摩尔体积（cm³/mol）：149.9

  3、 等张比容（90.2K）：364.9

  4、 表面张力（dyne/cm）：35.1

  5、 极化率：17.91

  6、 介电常数：未确定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3

  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:2

  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:11

  8.表面电荷:0

  9.复杂度:161

  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：液体

  2. 密度（g/mL,25/4℃）：1.059

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：226

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.528

  8. 闪点（ºC）：99

  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-Methylbenzyl isocyanate Material Safety Data Sheet Synonym: None CAS: 56651-58-2 Section 1 - Chemical Product MSDS Name:2-Methylbenzyl isocyanate Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 56651-58-2 2-Methylbenzyl isocyanate 100.0 unlisted 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.Lachrymator (substance which increases the flow of tears). Potential Health Effects Eye: Causes eye irritation. Lachrymator (substance which increases the flow of tears). Skin: Causes skin irritation. Ingestion: May cause irritation of the digestive tract. Inhalation: Causes respiratory tract irritation. 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 immediately. 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. 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: Antidote: None reported. 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 carbon dioxide or dry chemical. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 56651-58-2: 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: 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: Liquid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 65 deg C @ .65mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 210 deg F ( 98.89 deg C) Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: CH3C6H4CH2NCO Molecular Weight: 147.18 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Oxidizing 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# 56651-58-2 unlisted. LD50/LC50: Not available. Not available. Carcinogenicity: 2-Methylbenzyl isocyanate - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Other No information available. 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# 56651-58-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 56651-58-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 56651-58-2 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: 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: GHS05, GHS07
• 信号词: Danger
• 危害声明: H302-H315-H318-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
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): S26-S39
• 危险品运输编码: UN 3334
• WGK德国: 3
• 海关编码: 2929109000

合成路线

10166-09-3 ~62% 56651-58-2

文献：Kozhushko, B. N.; Lomakina, A. V.; Paliichuk, Yu. A.; Shokol, V. A. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, p. 654 - 660 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 4 p. 721 - 727

644-36-0 ~% 56651-58-2

文献：Journal of Medicinal Chemistry, , vol. 35, # 21 p. 3745 - 3754

7093-91-6 108-88-3 ~22% 552-45-4 56651-58-2 详细

文献：Kozhushko, B. N.; Lomakina, A. V.; Paliichuk, Yu. A.; Shokol, V. A. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, p. 654 - 660 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 4 p. 721 - 727

上下游产品

上游产品  4
10166-09-3 644-36-0 7093-91-6 108-88-3
下游产品  0

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%