cas号： 123927-75-3 ，名称：三甲氧基(五甲基环戊二烯)钛的性质/作用/用途-化学加百科

三甲氧基(五甲基环戊二烯)钛

三甲氧基(五甲基环戊二烯)钛基本信息
CAS号	123927-75-3	分子式	C13H24O3Ti
分子量	276.19500	精确质量	276.12000
PSA	27.69000	LogP	3.26330

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基本信息物化性质安全信息毒性 MSDS 结构与计算数据

基本信息展开↓

CAS号：: 123927-75-3
分子式：: C13H24O3Ti
分子量：: 276.19500
中文名称：: 三甲氧基(五甲基环戊二烯)钛
英文名称：: carbanide,cyclopenta-1,3-diene,methanolate,titanium
中文别名：: 三甲氧基(五甲基环戊二烯)钛;
三甲氧基五甲基环戊二烯基钛(IV)
英文别名：: carbanide,cyclopenta-1,3-diene,methanolate,titanium;
Trimethoxy(pentamethylcyclopentadienyl)titanium;
Trimethoxy(pentamethylcyclopentadienyl) titanium(IV);
Pentamethylcyclopentadienyltitanium trimethoxide;
Titanium,trimethoxy[(1,2,3,4,5-h)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl];
(Pentamethylcyclopentadienyl)trimethoxytitanium;
1,3-Cyclopentadiene,1,2,3,4,5-pentamethyl-,titanium complex
精确分子量/精确质量：: 276.12000
极性分子表面积/PSA：: 27.69000
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：: MFCD00269850
PubChem：: 24871631

物化性质展开↓

密度：: 1.081 g/mL at 25 °C(lit.)
沸点：: 285 °C(lit.)
闪点：: 141 °F
折射率：: n20/D 1.554(lit.)
存储条件/存储方法：: 保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置
稳定性相关：: 如果遵照规格使用和储存则不会分解，未有已知危险反应

避免氧化物、水分等
其它信息：: 1.        性状：黄色液体

2.         密度（g/mL,20℃）：1.081

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）：285

6.         沸点（ºC,KPa）：未确定

7.         折射率：n20/D 1.554

8.         闪点（ºC）：60.6

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（Pa,20ºC）：未确定

12.      饱和蒸气压（KPa,20ºC）：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：未确定

安全信息展开↓

WGK_Germany：: 3
德国有关水污染物质的分类清单
危险类别码：: R36/37/38:Irritating to eyes, respiratory system and skin .
安全说明：: S24/25

MSDS 展开↓

Name:	Trimethoxy(pentamethylcyclopentadienyl) titanium(IV) Material Safety Data Sheet
Synonym:
CAS:	123927-75-3

Section 1 - Chemical Product MSDS Name:Trimethoxy(pentamethylcyclopentadienyl) titanium(IV) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
123927-75-3	Trimethoxy(pentamethylcyclopentadienyl		unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Will burn if involved in a fire. Combustible liquid.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Remove all sources of ignition.
Use a spark-proof tool.

Section 7 - HANDLING and STORAGE
Handling:
Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Handle under argon.
Storage:
Keep away from sources of ignition. Store in a cool, dry place.
Store in a tightly closed container. Store under argon.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 123927-75-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 285 deg C @ 760 mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 60 deg C ( 140.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.081
Molecular Formula: C13H24O3Ti
Molecular Weight: 276.21

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, titanium/titanium oxides.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 123927-75-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Trimethoxy(pentamethylcyclopentadienyl) titanium(IV) - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Flammable liquid, n.o.s.*
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: Flammable liquid, n.o.s.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 123927-75-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 123927-75-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 123927-75-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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：276.120492 Da

8、标称质量：276 Da

9、平均质量：276.1949 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69.2

7.重原子数量:17

8.表面电荷:-9

9.复杂度:74.9

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