四氢呋喃钛酸钡(IV)

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学

四氢呋喃钛酸钡(IV) 基本信息

中文名称:
四氢呋喃钛酸钡(IV) 
中文别名:
四氢呋喃钛酸钡(IV);
四氢呋喃钛酸钡(IV) 溶液 
英文名称:
2-Furanmethanol,tetrahydro-, barium titanium(4+) salt (6:1:1)
英文别名:
barium(2+),oxolan-2-ylmethanol,oxolan-2-ylmethanolate,titanium;
BARIUM TITANIUM(IV) TETRAHYDROFURFURYL-&;
BARIUM TITANIUM(IV) TETRAHYDROFURFURYL-O XIDE,SOLUTION IN THF-CH2OH & ETOH;
barium titanium(iv) tetrahydrofurfuryl oxide solution 
CAS No.:
308796-51-2
分 子 式:
C5H10O2.1/6Ba.1/6Ti
分 子 量:
791.94
精确分子量:
796.24600
PSA:
182.42000
MDL:
MFCD02097700
风险术语:
20/22
分子结构式:
SDS:
查看

四氢呋喃钛酸钡(IV) 物化性质

密度:
1.16 g/mL at 25ºC
沸点:
176-183ºC
闪点:
73 °F
折射率:
n20/D 1.47
存储条件/存储方法:

保持容器密封,储存在阴凉,干燥的地方 

稳定性相关:

常温常压下稳定,避免强氧化物 水分接触

其它信息:

1.      性状:液体

2.      密度(g/mL, ,25℃):1.16

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(ºC 760mmHg):176-183

7.      折射率n20/D):未确定

8.      闪点(ºC22.8

9.      比旋光度():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

四氢呋喃钛酸钡(IV) 安全信息

危险类别码:
20/22
安全说明:
28
危险标志:
Xn: Harmful;

四氢呋喃钛酸钡(IV) MSDS

    Date Updated: 06/FEB/2006
    Version 1.3
    Regulation (EC) No 1907/2006
    ________________________________________________________________________
    1 - Product and Company Information
    ________________________________________________________________________
    Product Name        BARIUM TITANIUM(IV) TETRAHYDROFURFURYL-    
    OXIDE, SOLUTION IN THF-CH2OH & ETOH
    Product Number        517054    
    Company
    Century Ba-Shi Building 22A-B,
    200020 Shanghai
    Technical Phone #        86-21-61415566    
    Fax 86-21-61415567
    E-mail Address
    ________________________________________________________________________
    2 - Hazards Identification
    ________________________________________________________________________
    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Harmful by inhalation and if swallowed.
    ________________________________________________________________________
    3 - Composition/Information on Ingredients
    ________________________________________________________________________
    Product Name        CAS #        EC no        Annex I    
    Index Number
    BARIUM TITANIUM(IV)        308796-51-2 None        056-002-00-7    
    TETRAHYDROFURFURYLOXIDE SOLUTION
    Ingredient Name        Percent CAS #        EC no        Annex I    
    Index Number
    BARIUM TITANIUM(IV)        60        None        None        None    
    TETRAHYDROFURFURYLOXIDE
    ETHYL ALCOHOL,        15.2        64-17-5        200-578-6 603-002-00-5    
    NON-DENATURED, 200 PROOF
    Symbols: F
    R-Phrases: 11
    Highly flammable.
    TETRAHYDROFURFURYL        24.8        97-99-4        202-625-6 603-061-00-7    
    ALCOHOL
    Symbols: Xi
    R-Phrases: 36
    Irritating to eyes.
    Formula        C30H54BaO12Ti    
    Molecular Weight 792,0100 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
    Suitable: For small (incipient) fires, use media such as
    "alcohol" foam, dry chemical, or carbon dioxide. For large
    fires, apply water from as far as possible. Use very large
    quantities (flooding) of water applied as a mist or spray; solid
    streams of water may be ineffective. Cool all affected
    containers with flooding quantities of water.
    SPECIAL RISKS
    Specific Hazard(s): Flammable liquid. Emits toxic fumes under
    fire conditions.
    Explosion Hazards: Vapor may travel considerable distance to
    source of ignition and flash back. Container explosion may occur
    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. Shut off all sources of ignition. Use nonsparking
    tools.
    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear self-contained breathing apparatus, rubber boots, and heavy
    rubber gloves.
    METHODS FOR CLEANING UP
    Cover with dry-lime, sand, or soda ash. Place in covered
    containers using non-sparking tools and transport outdoors.
    Ventilate area and wash spill site after material pickup is
    complete.
    ________________________________________________________________________
    7 - Handling and Storage
    ________________________________________________________________________
    HANDLING
    Directions for Safe Handling: Do not breathe vapor. Do not get
    in eyes, on skin, on clothing. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed. Keep away from heat,
    sparks, and open flame.
    ________________________________________________________________________
    8 - Exposure Controls / Personal Protection
    ________________________________________________________________________
    ENGINEERING CONTROLS
    Safety shower and eye bath. Use nonsparking tools. Mechanical
    exhaust required.
    GENERAL HYGIENE MEASURES
    Remove and wash contaminated clothing promptly. Wash thoroughly
    after handling.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). Where risk assessment shows air-purifying respirators
    are appropriate use a full-face respirator with multi-purpose
    combination (US) or type ABEK (EN 14387) respirator cartridges as
    a backup to engineering controls. If the respirator is the sole
    means of protection, use a full-face supplied air respirator.
    Hand Protection: Compatible chemical-resistant gloves.
    Eye Protection: Chemical safety goggles.
    ________________________________________________________________________
    9 - Physical and Chemical Properties
    ________________________________________________________________________
    Appearance        Physical State: Liquid    
    Property        Value        At Temperature or Pressure    
    pH N/A
    BP/BP Range        176,000. - 183,000 °760,000 mmHg    
    C.
    MP/MP Range        N/A    
    Flash Point        22,800 °C        Method: closed cup    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    SG/Density        1,1600 g/cm3    
    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,
    Titanium/titanium oxides, Barium oxide.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur
    ________________________________________________________________________
    11 - Toxicological Information
    ________________________________________________________________________
    SIGNS AND SYMPTOMS OF EXPOSURE
    Symptoms of exposure may include burning sensation, coughing,
    wheezing, laryngitis, shortness of breath, headache, nausea, and
    vomiting. Inhalation may result in spasm, inflammation and edema
    of the larynxand bronchi, chemical pneumonitis, and pulmonary
    edema. Material is extremely destructive to tissue of the mucous
    membranes and upper respiratory tract, eyes, and skin.
    ROUTE OF EXPOSURE
    Skin Contact: Causes burns.
    Skin Absorption: May be harmful if absorbed through the skin.
    Eye Contact: Causes burns.
    Inhalation: Material is extremely destructive to the tissue of
    the mucous membranes and upper respiratory tract. May be harmful
    if inhaled.
    Ingestion: Harmful if swallowed.
    TARGET ORGAN INFORMATION
    Bone marrow. Spleen. Liver. Heart. Nerves. Kidneys. G.I. System.
    ________________________________________________________________________
    12 - Ecological Information
    ________________________________________________________________________
    No data available.
    ________________________________________________________________________
    13 - Disposal Considerations
    ________________________________________________________________________
    SUBSTANCE DISPOSAL
    Contact a licensed professional waste disposal service to dispose
    of this material. Burn in a chemical incinerator equipped with an
    afterburner and scrubber but exert extra care in igniting as this
    material is highly flammable. Observe all federal, state, and
    local environmental regulations.
    ________________________________________________________________________
    14 - Transport Information
    ________________________________________________________________________
    RID/ADR
    UN#: 1993
    Class: 3
    PG: II
    Proper Shipping Name: Flammable liquid, n.o.s.
    IMDG
    UN#: 1993
    Class: 3
    PG: II
    Proper Shipping Name: Flammable liquid, n.o.s.
    Marine Pollutant: No
    Severe Marine Pollutant: No
    Technical Name: Required
    IATA
    UN#: 1993
    Class: 3
    PG: II
    Proper Shipping Name: Flammable liquid, n.o.s.
    Inhalation Packing Group I: No
    Technical Name: Required
    ________________________________________________________________________
    15 - Regulatory Information
    ________________________________________________________________________
    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    ANNEX I INDEX NUMBER: 056-002-00-7
    NOTA: A
    INDICATION OF DANGER: Xn
    Harmful.
    R-PHRASES: 20/22
    Harmful by inhalation and if swallowed.
    S-PHRASES: 28
    After contact with skin, wash immediately with plenty of water.
    Caution: Substance not yet fully tested (EU).
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 2
    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
    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.
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.


模块 15 - 法规信息
N/A


模块16 - 其他信息
N/A

四氢呋喃钛酸钡(IV) 分子结构与计算化学数据

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:4

3.氢键受体数量:12

4.可旋转化学键数量:8

5.互变异构体数量:无

6.拓扑分子极性表面积182

7.重原子数量:44

8.表面电荷:0

9.复杂度:416

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:6

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:8

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