19241-24-8

• 常用中文名：4-叔丁基苯异硫氰酸酯
• 常用英文名：4-tert-Butylphenyl isothiocyanate
• CAS号：19241-24-8
• 分子式：C₁₁H₁₃NS
• 分子量：191.29300
• 发布时间：2018-04-24 08:00:00
• 更新时间：2024-01-09 14:33:58
• 下载msds

名称

• 中文名: 4-叔丁基苯异硫氰酸酯
• 英文名: 4-tert-Butylphenyl isothiocyanate
• 中文别名: 4-叔丁基苯基异硫氰酸酯
• 英文别名: 1-tert-butyl-4-isothiocyanatobenzene; 4-(tert-Butyl)phenyl isothiocyanate; MFCD00022059

物化性质

• 密度: 0.96 g/cm3
• 沸点: 92 °C
• 熔点: 42 °C
• 分子式: C₁₁H₁₃NS
• 分子量: 191.29300
• 闪点: 122.8ºC
• 精确质量: 191.07700
• PSA: 44.45000
• LogP: 3.71840
• 外观性状: 固体;White to Orange to Green powder to crystal
• 蒸汽压: 0.0084mmHg at 25°C
• 折射率: 1.531
• 储存条件: Keep Cold
• 分子结构:

  1、 摩尔折射率：61.04

  2、 摩尔体积（m³/mol）：197.2

  3、 等张比容（90.2K）：465.1

  4、 表面张力（dyne/cm）：30.9

  5、 极化率（10^-24cm³）：24.20

• 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: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44.4

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:203

  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：不确定

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：42

  5. 沸点（ºC,常压）：92

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：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: 4-(tert-Butyl)phenyl isothiocyanate Material Safety Data Sheet Synonym: CAS: 19241-24-8 Section 1 - Chemical Product MSDS Name:4-(tert-Butyl)phenyl isothiocyanate Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 19241-24-8 4-(tert-Butyl)phenyl isothiocyanate 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. 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: 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. 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# 19241-24-8: 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: colorless Odor: pungent odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 92 - 94 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: C11H13NS Molecular Weight: 191.3 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Bases, oxidizing agents, reducing agents, amines, acids. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 19241-24-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-(tert-Butyl)phenyl 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 SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 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# 19241-24-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 19241-24-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 19241-24-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): T: Toxic;
• 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: 2811
• 危险类别: 6.1
• 海关编码: 2930909090

合成路线

769-92-6 102368-13-8 ~60% 19241-24-8

文献：Digital Biotech Co., Ltd. Patent: WO2004/35533 A1, 2004 ; Location in patent: Page 38 ; WO 2004/035533 A1

463-71-8 769-92-6 ~% 19241-24-8

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 17 p. 5392 - 5395

769-92-6 ~% 19241-24-8

文献：Chemische Berichte, , vol. 17, p. 1233

68714-39-6 ~% 19241-24-8

文献：Chemische Berichte, , vol. 17, p. 1233

479533-85-2 ~% 19241-24-8 103-72-0

文献：Chemische Berichte, , vol. 16, p. 2017

112224-03-0 ~% 19241-24-8

文献：Chemische Berichte, , vol. 17, p. 1233

479533-85-2 ~% 769-92-6 19241-24-8 103-72-0 详细

文献：Chemische Berichte, , vol. 16, p. 2017

上下游产品

上游产品  5
769-92-6 102368-13-8 463-71-8 68714-39-6
112224-03-0
下游产品  2
4210-32-6 140835-39-8

海关

海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 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	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%