三甲基(五甲基环戊二烯)钛

三甲基(五甲基环戊二烯)钛 基本信息
CAS号 107333-47-1 分子式 C13H24Ti
分子量 228.19700 精确质量  228.13600
PSA  0.00000 LogP  4.72340

基本信息 展开↓

CAS号:
107333-47-1
3D弹球模型:
立即前往扯扯看
分子式:
C13H24Ti
分子量:
228.19700
中文名称:
三甲基(五甲基环戊二烯)钛
英文名称:
carbanide,cyclopenta-1,3-diene,titanium(4+)
中文别名:
三甲基(五甲基环戊二烯)钛;
三甲基五甲基环戊二烯钛(IV)
英文别名:
carbanide,cyclopenta-1,3-diene,titanium(4+);
decamethylrhenocene
精确分子量/精确质量:
228.13600
极性分子表面积/PSA:
0.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00269851
InChI:
The Key: KBXCFLXEWFCLED-UHFFFAOYSA-N

物化性质展开↓

存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。远离氧化剂,空气,水源,湿气,光照。常用惰性气体保护。存放在暗处。

稳定性相关:

常温常压下稳定,避免与水分,光,空气,氧化剂接触。

其它信息:

1.      性状:黄色晶体

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):未确定

6.      沸点(ºC32mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:不溶于水

安全信息展开↓

包装等级:
II
风险类别:
4.1
海关代码:
2931900090
危险类别码:
10
安全说明:
16
安全标志:
S16:远离火源。

合成路线查看所有的合成路线

  • 12129-06-5

    (五甲基环戊二烯基)三氯化钛(IV)

  • +

  • 917-54-4

    甲基锂

  • ~96%

  • 107333-47-1

    三甲基(五甲基环戊二烯)钛

  • 937784-85-5

    937784-85-5

  • +

  • 75-24-1

    三甲基铝

  • 107333-47-1

    三甲基(五甲基环戊二烯)钛

  • +

  • 154789-31-8

    [(η5-pentamethylcyclopentadienyl)Ti(O(t-Bu))Me2]

  • 1202038-74-1

    [(η5-pentamethylcyclopentadienyl)TiMe((cyclopentyl)7Si7O9(OSiMe3)O2)]

  • +

  • 75-24-1

    三甲基铝

  • 107333-47-1

    三甲基(五甲基环戊二烯)钛

毒理性展开↓

生态数据:

该物质对环境不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       (Trimethyl)pentamethylcyclopentadienyltitanium(IV), min. 97%    
   CAS Registry Number:       107333-47-1    
   Formula:       (CH3)5C5Ti(CH3)3    
   EINECS Number:       none    
   Chemical Family:       metallocene    
   Synonym:       Titanium, trimethyl[(1,2,3,4,5-.eta.)-2,4-cyclopentadiene-1-yl]    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       107333-47-1       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       May be irritating to skin, eyes and mucous membranes.    
   Primary Routes of Exposure:       Ingestion    
   Eye Contact:       May cause mild to moderate irritation of the eyes.    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       Dust may be irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information is available on the physiological effects of ingestion.    
   Acute Health Affects:       May be 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 in
   Inhalation:
   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:       no data    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide or dry powder    
   If this product is involved in a fire, firefighters should be equipped with NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus.
   Hazardous Combustion and       If involved in a fire this product may emit toxic and corrosive fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: Flammable solid

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Remove sources of ignition. do not raise dust. sweep up the solids and dispose of properly.    

SECTION 7: Handling and Storage
   Handle and store the material under an inert atmosphere of nitrogen or argon. Keep away from heat and
   Handling and Storage:
   moisture.

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:       yellow xtl.    
   Molecular Weight:       228.22    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       not determined    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air, light and moisture sensitive. (store cold)    
   Hazardous Polymerization:       No hazardous polymerization.    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents and active metals    
   Decomposition Products:       carbon monoxide, carbon dioxide, titanium oxide and organic fumes.    

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

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):       Flammable solids, Organic, N.O.S.    
   Hazard Class (CFR):       4.1    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       II    
   UN ID Number (CFR):       UN# 1325    
   Shipping Name (IATA):       Flammable solid, Organic, N.O.S.    
   Hazard Class (IATA):       4.1    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       II    
   UN ID Number (IATA):       UN# 1325    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2931900090

概述:
2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
摘要/Summary:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、摩尔折射率:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:228.135748 Da

8、标称质量:228 Da

9、平均质量:228.1967 Da

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:9

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:14

8.表面电荷:-5

9.复杂度:73.3

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:10

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