4650-60-6

• 常用中文名：异硫氢酸糠酯
• 常用英文名：Furfuryl isothiocyanate
• CAS号：4650-60-6
• 分子式：C₆H₅NOS
• 分子量：139.17500
• 发布时间：2018-07-19 23:06:43
• 更新时间：2024-01-02 17:22:24
• 下载msds

名称

• 中文名: 异硫氢酸糠酯
• 英文名: 2-furfuryl isothiocyanate
• 中文别名: 2-异硫氰酸糠酯
• 英文别名: 2-Furfurylisothiocyanate; 2-furanylmethyl isothiocyanate; Furfurylisothiocyanate; 2-FURYLMETHYL ISOTHIOCYANATE; EINECS 225-079-0; Furfuryl isothiocyanate; MFCD00014112

物化性质

• 密度: 1.39
• 沸点: 64 °C
• 分子式: C₆H₅NOS
• 分子量: 139.17500
• 闪点: 64-68°C/2mm
• 精确质量: 139.00900
• PSA: 57.59000
• LogP: 1.88240
• 外观性状: 液体
• 折射率: 1.5655
• 储存条件:

  常温，避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：39.41

  2、 摩尔体积（m³/mol）：120.2

  3、 等张比容（90.2K）：298.9

  4、 表面张力（dyne/cm）：38.2

  5、 极化率（10 ^-24cm ³）：15.62

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：2.4

  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、 拓扑分子极性表面积（TPSA）：25.5

  6、 重原子数量：9

  7、 表面电荷：0

  8、 复杂度：131

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 性状：棕色液体

  2. 密度：1.39

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：不确定

  5. 沸点（ºC,常压）：64

  6. 沸点（ºC,2mmHg）：64-68

  7. 折射率：1.5655

  8. 闪点（ºF）：不确定

  9. 比旋光度（º，C=1, H2O）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Name: 2-Furylmethyl isothiocyanate 95+% Material Safety Data Sheet Synonym: 2-Furfuryl isothiocyanat CAS: 4650-60-6 Section 1 - Chemical Product MSDS Name:2-Furylmethyl isothiocyanate 95+% Material Safety Data Sheet Synonym:2-Furfuryl isothiocyanat Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 4650-60-6 2-Furylmethyl isothiocyanate 95+% 225-079-0 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. Potential Health Effects Eye: Causes eye irritation. Lachrymator (substance which increases the flow of tears). Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Store under an inert atmosphere. 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# 4650-60-6: 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: Liquid Color: orange - dark brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 64 - 68 deg C @2mmHg 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: 1.39 Molecular Formula: C6H5NOS Molecular Weight: 139 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents, acids, bases. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4650-60-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Furylmethyl isothiocyanate - 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: TOXIC LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 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 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 4650-60-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4650-60-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4650-60-6 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

毒理学数据: 主要的刺激性影响 在皮肤上面：在皮肤和粘膜上造成腐蚀性影响 在眼睛上面：强烈腐蚀性影响,催泪效果 致敏作用：没有已知的敏化影响 生态学数据: 通常对水是不危害的，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): S26-S36/37/39
• 危险品运输编码: 2810
• 包装等级: III
• 危险类别: 8
• 海关编码: 2932190090

合成路线

31596-38-0 ~69% 4650-60-6

文献：Nath, Jayashree; Ghosh, Harisadhan; Yella, Mamesh; Patel, Bhisma K. European Journal of Organic Chemistry, 2009 , # 12 p. 1849 - 1851

1436862-81-5 ~94% 4650-60-6

文献：Li, Zheng-Yi; Ma, Hong-Zhao; Han, Chen; Xi, Hai-Tao; Meng, Qi; Chen, Xin; Sun, Xiao-Qiang Synthesis (Germany), 2013 , vol. 45, # 12 art. no. SS-2013-F0228-OP, p. 1667 - 1674

617-89-0 75-09-2 7732-18-5 ~% 4650-60-6

文献：American Cyanamid Company Patent: US4267191 A1, 1981 ; Title/Abstract Full Text Show Details American Cyanamid Company Patent: US4313885 A1, 1982 ;

617-89-0 1005-56-7 ~82% 4650-60-6

文献：Li, Zheng-Yi; Ma, Hong-Zhao; Han, Chen; Xi, Hai-Tao; Meng, Qi; Chen, Xin; Sun, Xiao-Qiang Synthesis (Germany), 2013 , vol. 45, # 12 art. no. SS-2013-F0228-OP, p. 1667 - 1674

75-15-0 617-89-0 ~% 4650-60-6

文献：Muccioli, Giulio G.; Martin, Diana; Scriba, Gerhard K. E.; Poppitz, Wolfgang; Poupaert, Jacques H.; Wouters, Johan; Lambert, Didier M. Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2509 - 2517

617-89-0 ~% 4650-60-6

文献：Li, Zheng-Yi; Ma, Hong-Zhao; Han, Chen; Xi, Hai-Tao; Meng, Qi; Chen, Xin; Sun, Xiao-Qiang Synthesis (Germany), 2013 , vol. 45, # 12 art. no. SS-2013-F0228-OP, p. 1667 - 1674

上下游产品

上游产品  6
1436862-81-5 617-89-0 75-09-2 7732-18-5
1005-56-7 75-15-0
下游产品  2
56541-07-2 96860-19-4

海关

海关编码	2932190090
中文概述	2932190090 其他结构上有非稠合呋喃环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%