4-(6-甲基-2-苯并噻唑基)异氰酸苯酯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品

4-(6-甲基-2-苯并噻唑基)异氰酸苯酯 基本信息

中文名称:
4-(6-甲基-2-苯并噻唑基)异氰酸苯酯 
中文别名:
异氰酸4-(6-甲基-2-苯并噻唑基)苯酯;
4-(6-甲基-2-苯并噻唑)异氰酸苯酯 
英文名称:
4-(6-METHYL-2-BENZOTHIAZOLYL)PHENYL ISOCYANATE
英文别名:
4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate;
2-(4-isocyanatophenyl)-6-methyl-1,3-benzothiazole 
CAS No.:
67229-93-0
分 子 式:
C15H10N2OS
分 子 量:
266.32
精确分子量:
266.05100
PSA:
70.56000
MDL:
MFCD00467423
BRN:
229420
InChI:
InChI=1/C15H10N2OS/c1-10-2-7-13-14(8-10)19-15(17-13)11-3-5-12(6-4-11)16-9-18/h2-8H,1H3
分子结构式:
SDS:
查看

4-(6-甲基-2-苯并噻唑基)异氰酸苯酯 物化性质

密度:
1.27g/cm3
熔点:
140-150ºC (dec.)
沸点:
419.1ºC at 760 mmHg
闪点:
207.3ºC
折射率:
1.676
存储条件/存储方法:

 

 

密闭于2-8 ºC阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

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

4-(6-甲基-2-苯并噻唑基)异氰酸苯酯 安全信息

海关代码:
2934200090

4-(6-甲基-2-苯并噻唑基)异氰酸苯酯 毒理性

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

4-(6-甲基-2-苯并噻唑基)异氰酸苯酯 MSDS

    Version 1.4
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        4-(6-METHYL-2-BENZOTHIAZOLYL)PHENYL    
    ISOCYANATE SUITABLE FOR FLUORESCENCE,
    PURUM, FOR FLUORESCENCE, >= 98.0% (HPLC)

    2 - Hazards Identification

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    4-(6-METHYL-2-BENZOTHIAZOLYL)PHENY 67229-93-0 None        None    
    L ISOCYANATE
    Formula        C15H10N2OS    
    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
    SIGMA        www.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

    Appearance        Color: Faintly beige    
    Form: Fine crystals
    Property        Value        At Temperature or Pressure    
    pH        N/A    
    BP/BP Range        N/A    
    MP/MP Range        140,000 °C    
    Flash Point        N/A    
    Flammability        N/A    
    SIGMA        www.molbase.com    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/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
    SIGMA        www.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.
    SIGMA        www.molbase.com    


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-(6-甲基-2-苯并噻唑基)异氰酸苯酯 海关数据

中国海关编码:2934200090

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
摘要/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%

4-(6-甲基-2-苯并噻唑基)异氰酸苯酯 分子结构与计算化学数据

分子结构数据

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

计算化学数据

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

4-(6-甲基-2-苯并噻唑基)异氰酸苯酯 上游产品

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