67229-93-0

• 常用中文名：4-(6-甲基-2-苯并噻唑基)苯基异氰酸酯
• 常用英文名：4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate
• CAS号：67229-93-0
• 分子式：C₁₅H₁₀N₂OS
• 分子量：266.31800
• 相关类别： 分析化学 分析试剂 常用分析试剂
• 发布时间：2018-12-28 17:59:58
• 更新时间：2025-09-26 19:09:14
• 下载msds

名称

• 中文名: 异氰酸4-(6-甲基-2-苯并噻唑基)苯酯
• 英文名: 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate
• 中文别名: 4-(6-甲基-2-苯并噻唑)异氰酸苯酯
• 英文别名: 2-(4-isocyanatophenyl)-6-methyl-1,3-benzothiazole; MFCD00467423

物化性质

• 密度: 1.27g/cm3
• 沸点: 419.1ºC at 760 mmHg
• 熔点: 140-150ºC (dec.)
• 分子式: C₁₅H₁₀N₂OS
• 分子量: 266.31800
• 闪点: 207.3ºC
• 精确质量: 266.05100
• PSA: 70.56000
• LogP: 4.23900
• 折射率: 1.676
• 储存条件:

  密闭于2-8 ºC阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 疏水参数计算参考值（XlogP）：5.4

  2、 氢键供体数量：0

  3、 氢键受体数量：3

  4、 可旋转化学键数量：2

  5、 拓扑分子极性表面积（TPSA）：42.3

  6、 重原子数量：19

  7、 表面电荷：0

  8、 复杂度：361

  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

• 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:4

  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70.6

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:361

  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：米黄色晶体

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：140-150

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  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

Version 1.4 Regulation (EC) No 1907/2006 1 - Product and Company Information Product Name4-(6-METHYL-2-BENZOTHIAZOLYL)PHENYL ISOCYANATE SUITABLE FOR FLUORESCENCE, PURUM, FOR FLUORESCENCE, >= 98.0% (HPLC) 2 - Hazards Identification 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number 4-(6-METHYL-2-BENZOTHIAZOLYL)PHENY 67229-93-0 NoneNone L ISOCYANATE FormulaC15H10N2OS Molecular Weight 266,3000 AMU 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If not breathing give artificial respiration. If breathing is difficult, give oxygen. AFTER SKIN CONTACT In case of contact, immediately wash skin with soap and copious amounts of water. AFTER EYE CONTACT In case of contact, immediately flush eyes with copious amounts of water for at least 15 minutes. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures EXTINGUISHING MEDIA SIGMAwww.molbase.com Suitable: Water spray. Carbon dioxide, dry chemical powder, or appropriate foam. SPECIAL RISKS Specific Hazard(s): Emits toxic fumes under fire conditions. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL Evacuate area. PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear self-contained breathing apparatus, rubber boots, and heavy rubber gloves. METHODS FOR CLEANING UP Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage HANDLING Directions for Safe Handling: Do not breathe dust. Do not get in eyes, on skin, on clothing. Avoid prolonged or repeated exposure. STORAGE Conditions of Storage: Keep tightly closed. Store in a cool dry place. Store at 2-8°C 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Safety shower and eye bath. Use only in a chemical fume hood. GENERAL HYGIENE MEASURES Wash thoroughly after handling. PERSONAL PROTECTIVE EQUIPMENT Special Protective Measures: Wear appropriate government approved respirator, chemical-resistant gloves, safety goggles, other protective clothing. 9 - Physical and Chemical Properties AppearanceColor: Faintly beige Form: Fine crystals PropertyValueAt Temperature or Pressure pHN/A BP/BP RangeN/A MP/MP Range140,000 °C Flash PointN/A FlammabilityN/A SIGMAwww.molbase.com Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A Explosion LimitsN/A Vapor PressureN/A Partition Coefficient N/A ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A 10 - Stability and Reactivity STABILITY Stable: Stable. Conditions to Avoid: Moisture. Materials to Avoid: Strong oxidizing agents. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Nitrogen oxides, Sulfur oxides, Hydrogen cyanide. HAZARDOUS POLYMERIZATION Hazardous Polymerization: Will not occur 11 - Toxicological Information SENSITIZATION Sensitization: Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals. SIGNS AND SYMPTOMS OF EXPOSURE To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. ROUTE OF EXPOSURE Inhalation: Material is irritating to mucous membranes and upper respiratory tract. Multiple Routes: Causes eye and skin irritation. Harmful if swallowed, inhaled, or absorbed through skin. 12 - Ecological Information No data available. 13 - Disposal Considerations SUBSTANCE DISPOSAL Dissolve or mix the material with a combustible solvent and burn SIGMAwww.molbase.com in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA Non-hazardous for air transport. 15 - Regulatory Information CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES S-PHRASES: 22-24/25 Do not breathe dust. Avoid contact with skin and eyes. Caution: Substance not yet fully tested (EU). COUNTRY SPECIFIC INFORMATION Germany WGK: 3 Self-Classification 16 - Other Information WARRANTY The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. SIGMAwww.molbase.com 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

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 安全声明 (欧洲): 22-24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2934200090

合成路线

92-36-4 32315-10-9 ~% 67229-93-0

文献：Biedermann, Frank; Appel, Eric A.; Del Barrio, Jesus; Gruendling, Till; Barner-Kowollik, Christopher; Scherman, Oren A. Macromolecules, 2011 , vol. 44, # 12 p. 4828 - 4835

75-44-5 92-36-4 ~% 67229-93-0

文献：Weisswange,W. Diss. 49 Full Text Show Details Siefken Justus Liebigs Annalen der Chemie, 1949 , vol. 562, p. 75,1114

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92-36-4 32315-10-9 75-44-5
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海关

海关编码	2934200090
中文概述	2934200090. 其他含一个苯并噻唑环系的化合物. 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:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%