三甲基硼-d9

三甲基硼-d9 基本信息
CAS号 6063-55-4 分子式 C3BD9
分子量 64.97000 精确质量  65.13620
PSA  0.00000 LogP  1.37060

基本信息 展开↓

CAS号:
6063-55-4
3D弹球模型:
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分子式:
C3BD9
分子量:
64.97000
中文名称:
三甲基硼-d9
英文名称:
tris(trideuteriomethyl)borane
中文别名:
三甲基硼-d9;
氘代三甲基硅烷
英文别名:
tris(trideuteriomethyl)borane;
Tris--boran;
Trimethylboron-d9;
tris-trideuteriomethyl-borane;
trimethylborane-d9;
Tris-trideuteromethyl-bor;
d9-Trimethylboran
精确分子量/精确质量:
65.13620
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:
MFCD00145460
PubChem:
24870063
InChI:
The Key: WXRGABKACDFXMG-GQALSZNTSA-N

物化性质展开↓

熔点:
-161.5ºC
沸点:
-20,2ºC
存储条件/存储方法:

密封于避光处保存,温度不宜超过52°C

稳定性相关:

常温常压下稳定,避免强氧化剂,卤素

其它信息:

1.       性状:未确定

2.       密度(g/mL at 25°C:未确定

3.       相对蒸汽密度(g/mL,空气=1):2.3

4.       熔点(ºC):-161.5

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,760mmHg):-20.2

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,37ºC):未确定

12.    饱和蒸气压(kPa,114.4 ºC):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(MPa):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↓

危险类别码:
17-34
安全说明:
S7-S23-S26-S43-S45-S36-S37-S39
安全标志:
S7:保持容器紧密封闭。
S23:不要吸入蒸汽。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S43:灭火时使用...(某种合适的灭火装置名称)。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
F,C

MSDS 展开↓

    Date Updated: 12/FEB/2006
    Version 1.2
    Regulation (EC) No 1907/2006
    ________________________________________________________________________
    1 - Product and Company Information
    ________________________________________________________________________
    Product Name        TRIMETHYLBORON-D9, 99 ATOM % D,    
    ELECTRON IC GRADE
    Product Number        463426    
    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
    Spontaneously flammable in air. Causes burns.
    ________________________________________________________________________
    3 - Composition/Information on Ingredients
    ________________________________________________________________________
    Product Name        CAS #        EC no        Annex I    
    Index Number
    TRIMETHYLBORON-D9, 99 ATOM % D, 6063-55-4 None        005-004-00-6    
    ELECTRONICGRADE
    Formula        C3 BD9    
    Molecular Weight 64,9900 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 skin contact, flush with copious amounts of water for
    at least 15 minutes. Remove contaminated clothing and shoes.
    Call a physician.
    AFTER EYE CONTACT
    Contamination of the eyes should be treated by immediate and
    prolonged irrigation with copious amounts of water.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician immediately.
    GENERAL INFORMATION
    Contamination of the eyes should be treated by immediate and
    prolonged irrigation with copious amounts of water.
    ________________________________________________________________________
    5 - Fire Fighting Measures
    ________________________________________________________________________
    SPECIAL RISKS
    Specific Hazard(s): Vapor may travel considerable distance to
    source of ignition and flash back. Pyrophoric material. 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 and keep personnel upwind. Shut off all sources of
    ignition. Shut off leak if there is no risk.
    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear self-contained breathing apparatus, rubber boots, and heavy
    rubber gloves.
    METHODS FOR CLEANING UP
    Ventilate area and wash spill site after material pickup is
    complete.
    ________________________________________________________________________
    7 - Handling and Storage
    ________________________________________________________________________
    HANDLING
    Directions for Safe Handling: Do not breathe gas. 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. Cylinder temperature should not exceed
    125°F (52°C).
    SPECIAL REQUIREMENTS: Contents under pressure.
    ________________________________________________________________________
    8 - Exposure Controls / Personal Protection
    ________________________________________________________________________
    ENGINEERING CONTROLS
    Use only in a chemical fume hood. Safety shower and eye bath. Use
    nonsparking tools.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling.
    PERSONAL PROTECTIVE EQUIPMENT
    Special Protective Measures: Wear appropriate government approved
    respirator, chemical-resistant gloves, safety goggles, other
    protective clothing.
    ________________________________________________________________________
    9 - Physical and Chemical Properties
    ________________________________________________________________________
    pH N/A
    BP/BP Range        - 20,200 °C.        760,000 mmHg    
    MP/MP Range        - 161,500 °C.    
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        2,300 g/l    
    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.
    Reactions to Avoid: Reacts violently with:
    Materials to Avoid: Water, Strong oxidizing agents, Halogens.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Borane/boron oxides, Methane gas.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur
    ________________________________________________________________________
    11 - Toxicological Information
    ________________________________________________________________________
    SIGNS AND SYMPTOMS OF EXPOSURE
    Coughing, chest pains, difficulty in breathing. Nausea,
    headache, and vomiting. Exposure can cause:
    ROUTE OF EXPOSURE
    Skin Contact: Thermal burns.
    Multiple Routes: Harmful if inhaled or absorbed through skin.
    ________________________________________________________________________
    12 - Ecological Information
    ________________________________________________________________________
    No data available.
    ________________________________________________________________________
    13 - Disposal Considerations
    ________________________________________________________________________
    SUBSTANCE DISPOSAL
    Observe all federal, state, and local environmental regulations.
    CONTAMINATED CONTAINER DISPOSAL
    Caution: no-return cylinder. Do not reuse. Empty cylinder will
    contain hazardous residue. Follow proper disposal techniques.
    ________________________________________________________________________
    14 - Transport Information
    ________________________________________________________________________
    RID/ADR
    UN#: 3160
    Class: 2.3
    Subrisk: 2.1
    Proper Shipping Name: Liquefied gas, toxic, flammable,
    n.o.s.
    IMDG
    UN#: 3160
    Class: 2.3
    Subrisk: 2.1
    Proper Shipping Name: Liquefied gas, toxic, flammable,
    n.o.s.
    Marine Pollutant: No
    Severe Marine Pollutant: No
    Technical Name: Required
    IATA
    UN#: 3160
    Class: 2.3
    Subrisk: 2.1
    Proper Shipping Name: Liquefied gas, toxic, flammable,
    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: 005-004-00-6
    NOTA: A
    INDICATION OF DANGER: F-C
    Highly Flammable. Corrosive.
    R-PHRASES: 17-34
    Spontaneously flammable in air. Causes burns.
    S-PHRASES: 7-23-26-36/37/39-43-45
    Keep container tightly closed. Do not breathe vapor. In case of
    contact with eyes, rinse immediately with plenty of water and
    seek medical advice. Wear suitable protective clothing, gloves,
    and eye/face protection. In case of fire, use dry powder. Never
    use water. In case of accident or if you feel unwell, seek
    medical advice immediately (show the label where possible).
    Caution: Substance not yet fully tested (EU).
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 1
    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

分子结构与计算化学数据展开↓

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:0

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:4

8.表面电荷:0

9.复杂度:8

10.同位素原子数量:9

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:1

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