11136-36-0 (双(五甲基环戊二烯)二氯化钛,Bis(pentamethylcyclopentadienyl)titanium dichloride)

CAS号:
11136-36-0
中文名称:
双(五甲基环戊二烯)二氯化钛
英文名称:
Bis(pentamethylcyclopentadienyl)titanium dichloride
分子式:
C20H30Cl2Ti
分子量:
389.225204944611

双(五甲基环戊二烯)二氯化钛(11136-36-0)名称与标识符

名称

中文别名:
双(五甲基环戊二烯)二氯化钛;5-乙酰氧基甲基呋喃醛;双(五甲基环戊烯)二氯化钛;二氯双(五甲基环戊二烯基)钛;双(五甲基环戊二烯)二氯化钛(IV);双(五甲基环戊二烯基)二氯化钛;
英文别名:
Bis(pentamethylcyclopentadienyl)titanium dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene,titanium(4+),dichloride;BIS(PENTAMETHYLCYCLOPENTADIENYL)TITANIUM(IV) DICHLORIDE;Bis(pentamethylcyclopentadienyl)titaniumdichloride,99%;BIS(PENTAMETHYLCYCLOPENTADIENYL)TITANIUM DICHLORIDE ISO 9001:2015 REACH;

标识符

MDL:
MFCD00049153
InChIKey:
XWJPQKIWZOIPRW-UHFFFAOYSA-L
Inchi:
1S/2C10H15.2ClH.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q;;;;+2/p-2
SMILES:
[C]1(C)[C](C)[C](C)[C](C)[C]1C.[C]1(C)[C](C)[C](C)[C](C)[C]1C.[Ti](Cl)Cl |^1:0,2,4,6,8,10,12,14,16,18|

双(五甲基环戊二烯)二氯化钛(11136-36-0)物化性质

实验特性

  • LogP : 7.32300
  • PSA : 0.00000
  • 水溶性 : Reacts with water.
  • 熔点 : 190 ºC (分解)
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 敏感性 : Air & Moisture Sensitive

计算特性

  • 精确分子量 : 388.12000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 0
  • 重原子数量 : 23
  • 复杂度 : 484
  • 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(五甲基环戊二烯)二氯化钛(11136-36-0)国际标准相关数据

EINECS:

双(五甲基环戊二烯)二氯化钛(11136-36-0)海关数据

海关编码:
29310099

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双(五甲基环戊二烯)二氯化钛(11136-36-0)上下游

双(五甲基环戊二烯)二氯化钛(11136-36-0)参考资料

Reaxys RN:

双(五甲基环戊二烯)二氯化钛(11136-36-0) MSDS

基础信息


Section 1: Product Identification
   Chemical Name:       Bis(pentamethylcyclopentadienyl)titanium dichloride, 99%    
   CAS Registry Number:       11136-36-0    
   Formula:       [(CH3)5C5]2TiCl2    
   EINECS Number:       none    
   Chemical Family:       organometallic complex    
   Synonym:       Dichlorobis(pentamethylcyclopentadienyl)titanium (IV)    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       11136-36-0       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes, and mucous membranes    
   Primary Routes of Exposure:       Ingestion    
   Eye Contact:       Severe irritant to the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       The material is a crystalline solid. Inhalation is an unlikely source of exposure.    
   Ingestion:       No information is available on the physiological effects of ingestion.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long-term chronic effects.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       none    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
   Special Fire Fighting Procedures:
   and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   The material will degrade on prolonged exposure to moisture. Store under an inert atmosphere of nitrogen or
   Handling and Storage:
   argon. Keep bottle tightly sealed and away from heat and light.

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves.    
   Ventilation:       If possible, handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respiratory
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       red-brown xtl.    
   Molecular Weight:       389.23    
   Melting Point:       no data    
   Boiling Point:       decomposes    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       moisture-sensitive solid    
   Hazardous Polymerization:       none    
   Conditions to Avoid:       exposure to moisture    
   Incompatibility:       water, strong oxidizing agents    
   Decomposition Products:       carbon dioxide, carbon monoxide, hydrochloric acid, organic fumes, and titanium oxide.    

SECTION 11: Toxicological Information
   RTECS Data:       No data available in the RTECS files.    
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       No data available    
   Tetratogenic Effects:       No data available    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       not listed on the TSCA inventory    
   SARA (Title 313):       not regulated by Title 313    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A