68449-38-7 (双(四正丁基胺)双(1,3-二噻环戊二烯-2-硫酮-4,5-二硫醇)锌,Bis(tetrabutylammonium) Bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc Complex)

CAS号:
68449-38-7
中文名称:
双(四正丁基胺)双(1,3-二噻环戊二烯-2-硫酮-4,5-二硫醇)锌
英文名称:
Bis(tetrabutylammonium) Bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc Complex
分子式:
C38H72N2S10Zn
分子量:
943.050674438477

双(四正丁基胺)双(1,3-二噻环戊二烯-2-硫酮-4,5-二硫醇)锌(68449-38-7)名称与标识符

名称

中文别名:
双(四正丁基铵)合双(1,3-二硫杂环戊烯-2-硫酮-4,5-二硫醇)锌[有机电子材料];4-三氟甲基-N-甲氧基-N-甲基-苯甲酰胺;双(四正丁基铵)合双(1,3-二硫杂环戊烯-2-硫酮-4,5-二硫醇)锌;双(四正丁基胺)双(1,3-二噻环戊二烯-2-硫酮-4,5-二硫醇)锌;BTBA-BDTD Zn络合物;双(四丁基铵)双(1,3-二硫醇-2-硫酮-4,5-二硫醇)锌络合物;
英文别名:
Bis(tetrabutylammonium) Bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc Complex [Organic Electronic Material];zinc,2-sulfanylidene-1,3-dithiole-4,5-dithiolate,tetrabutylazanium;B1221;BTBA-BDTD Zn Complex;Bis(tetrabutylammonium) Bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc Complex;BIS(TETRA-N-BUTYLAMMONIUM) BIS(1,3-DITHIOLE-2-THIONE-4,5-DITHIOLATO) ZINC COMPLEX;Bis(tetra-n-butylammonium)bis(1,3-dithiole-2-thione-4,5-dithiolato)zinccomplex[organicelectronicmaterial];97.0%(T&Bis(tetrabutylammonium) Bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc Complex [Organic Electronic Material]>Bis(tetrabutylammonium) bis(1,3-dithiol-2-thione-4,5-dithiolato)zinc complex;

标识符

MDL:
MFCD00060267
InChIKey:
ZBBYMGVOKYWSPO-UHFFFAOYSA-J
Inchi:
1S/2C16H36N.2C3H2S5.Zn/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*4-1-2(5)8-3(6)7-1;/h2*5-16H2,1-4H3;2*4-5H;/q2*+1;;;+2/p-4
SMILES:
[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C1(S[Zn]SC2=C([S-])SC(=S)S2)=C([S-])SC(=S)S1

双(四正丁基胺)双(1,3-二噻环戊二烯-2-硫酮-4,5-二硫醇)锌(68449-38-7)物化性质

实验特性

  • LogP : 16.00730
  • PSA : 227.74000
  • 熔点 : 170.0 to 177.0 deg-C
  • 颜色与性状 : 红色或者紫色结晶性粉末。
  • 溶解性 : 未确定。

计算特性

  • 精确分子量 : 940.21900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 24
  • 重原子数量 : 51
  • 复杂度 : 442
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 5
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0

双(四正丁基胺)双(1,3-二噻环戊二烯-2-硫酮-4,5-二硫醇)锌(68449-38-7)海关数据

海关编码:
2934.99.9001

双(四正丁基胺)双(1,3-二噻环戊二烯-2-硫酮-4,5-二硫醇)锌(68449-38-7)推荐厂家 更多厂家(8)

双(四正丁基胺)双(1,3-二噻环戊二烯-2-硫酮-4,5-二硫醇)锌(68449-38-7)参考资料

Reaxys RN:
7069099
Beilstein:
B152619
PubChem CID:

双(四正丁基胺)双(1,3-二噻环戊二烯-2-硫酮-4,5-二硫醇)锌(68449-38-7) MSDS

基础信息

  Bis(tetrabutylammonium) Bis(1,3-dithiole-2-thione-4,5- Revision number: 1
  dithiolato)zinc Complex [Organic Electronic Material]
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        Bis(tetrabutylammonium) Bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc Complex    
    [Organic Electronic Material]
             
  Revision number:        1    

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified    
    Not classified
  HEALTH HAZARDS
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements
  Pictograms or hazard symbols        None    
  Signal word        No signal word    
  Hazard statement        None    
  Precautionary statements        None    

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Substance
  Substance/mixture:
  Component(s):        Bis(tetrabutylammonium) Bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc Complex    
    [Organic Electronic Material]
  Percent:        >97.0%(T)(N)    
    68449-38-7
  CAS Number:
  Synonyms:        BTBA-BDTD Zn Complex    
  Chemical Formula:        C38H72N2S10Zn    

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Get medical advice/attention if you feel unwell.
    Remove/Take off immediately all contaminated clothing. Rinse skin with
  Skin contact:
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
    Rinse cautiously with water for several minutes. Remove contact lenses, if present
  Eye contact:
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards:        Take care as it may decompose upon combustion or in high temperatures to    
    generate poisonous fume.
  Bis(tetrabutylammonium) Bis(1,3-dithiole-2-
  thione-4,5-dithiolato)zinc Complex [Organic
  Electronic Material]

Section 5. FIRE-FIGHTING MEASURES
  Specific methods:        Fire-extinguishing work is done from the windward and the suitable fire-extinguishing    
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.    
  Storage
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Solid
  Physical state (20°C):
  Form:        crystal - powder    
  Color:        Red - Deep purple    
  Odor:        No data available    
  pH: No data available
  Melting point/freezing point:174 °C
  Boiling Point/Range:        No data available    
  Flash Point:        No data available    
  Explosive limits
  Lower:        No data available    
  Upper:        No data available    
  Density:        No data available    
  Solubility:        No data available    

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Stability:
  Reactivity:        No special reactivity has been reported.    
  Incompartible materials: oxidizing agents
  Bis(tetrabutylammonium) Bis(1,3-dithiole-2-
  thione-4,5-dithiolato)zinc Complex [Organic
  Electronic Material]

Section 10. STABILITY AND REACTIVITY
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulphur oxides
  Products:

Section 11. TOXICOLOGICAL INFORMATION
    No data available
  Acute Toxicity:
  Skin corrosion/irritation: No data available
    No data available
  Serious eye
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
    No data available
  Reproductive toxicity:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobillity in soil
  log Pow:        No data available    
    No data available
  Soil adsorption (Koc):
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
    Not Listed
  UN-No:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.
  Bis(tetrabutylammonium) Bis(1,3-dithiole-2-
  thione-4,5-dithiolato)zinc Complex [Organic
  Electronic Material]


SECTION 16 - ADDITIONAL INFORMATION
N/A