B-异松蒎基-9-硼杂二环[3.3.1]壬基氢化锂

B-异松蒎基-9-硼杂二环[3.3.1]壬基氢化锂 基本信息
CAS号 100013-07-8 分子式 C18H32B.Li
分子量 266.20927 精确质量  266.27571
PSA  0.00000 LogP  5.66170

基本信息 展开↓

CAS号:
100013-07-8
分子式:
C18H32B.Li
分子量:
266.20927
中文名称:
B-异松蒎基-9-硼杂二环[3.3.1]壬基氢化锂
英文名称:
Borate(1-), 1,5-cyclooctanediylhydro[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-, lithium, (T-4)- (9CI)
中文别名:
B-异松蒎基-9-硼杂二环[3.3.1]壬基氢化锂
英文别名:
Borate(1-), 1,5-cyclooctanediylhydro[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-, lithium, (T-4)- (9CI);
Borate(1-), 1,5-cyclooctanediylhydro(2,6,6-trimethylbicyclo[3.1.1]hept-3-yl)-, lithium, [T-4-[1S-(1α,2β,3α,5α)]]-;
Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, boron complex, [1S-(1α,2β,5α)]-;
Cyclooctane, boron complex;
S-Alpine-Hydride
精确分子量/精确质量:
266.27571
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:
MFCD00082427
PubChem:
24854266

物化性质展开↓

密度:
0.92 g/mL at 25 °C(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,避免酒精、水

其它信息:

1.       性状:未确定

2.       密度(g/mL,25ºC):0.92

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):未确定

6.       沸点(ºC0.3mmHg):未确定

7.       折射率:未确定

8.       闪点(°C):-17

9.       比旋光度(ºF):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,110ºC):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↓

危险类别码:
R11;R14/15;R19;R20/21/22;R34
安全说明:
16-26-27-36/37/39-45
危险标志:
F: Flammable;C: Corrosive;

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : S-Alpine-Hydride®    
    CAS-No.        : 100013-07-8    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
    Substances, which in contact with water, emit flammable gases (Category 1)
    Skin corrosion (Category 1B)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Reacts violently with water, liberating extremely flammable gases. Causes burns.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H260        In contact with water releases flammable gases which may ignite    
    spontaneously.
    H314        Causes severe skin burns and eye damage.    
    Precautionary statement(s)
    P223        Keep away from any possible contact with water, because of violent    
    reaction and possible flash fire.
    P231 + P232        Handle under inert gas. Protect from moisture.    
    P280        Wear protective gloves/ protective clothing/ eye protection/ face    
    protection.
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    P370 + P378        In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for    
    extinction.
    P422        Store contents under inert gas.    
    Supplemental Hazard information (EU)
    EUH014        Reacts violently with water.    
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R14/15        Reacts violently with water, liberating extremely flammable gases.    
    R34        Causes burns.    
    S-phrase(s)
    S16        Keep away from sources of ignition - No smoking.    
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S27        Take off immediately all contaminated clothing.    
    S36/37/39        Wear suitable protective clothing, gloves and eye/face protection.    
    S45        In case of accident or if you feel unwell, seek medical advice immediately    
    (show the label where possible).
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : Lithium B-isopinocampheyl-9-borabicyclo[3.3.1]nonyl hydridesolution    
    Formula        : C18H32BLi    
    Molecular Weight        : 266,2 g/mol    
    Component        Concentration    
  S-Alpine-Hydride™ Alpine-Hydride
    CAS-No.        100013-07-8        -    

Section 4. FIRST AID MEASURES
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a
    physician.
  In case of eye contact
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  If swallowed
    Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
    water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
    skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
    pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
    Headache, Nausea
  Indication of any immediate medical attention and special treatment needed
    no data available

Section 5. FIREFIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Dry powder
  Special hazards arising from the substance or mixture
    Carbon oxides, Borane/boron oxides, Lithium oxides
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
    adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Sweep up and shovel. Contain spillage, and then collect with an electrically protected vacuum cleaner or
    by wet-brushing and place in container for disposal according to local regulations (see section 13). Do
    not flush with water. Keep in suitable, closed containers for disposal.
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid formation of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed.Keep away from sources of ignition
    - No smoking.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
    Never allow product to get in contact with water during storage.
  Specific end use(s)
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Face shield and safety glasses Use equipment for eye protection tested and approved under
    appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Complete suit protecting against chemicals, Flame retardant protective clothing, The type of
    protective equipment must be selected according to the concentration and amount of the
    dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
    respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
    controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
    respirators and components tested and approved under appropriate government standards such
    as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        0,92 g/cm3 at 25 °C    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

Section 10. STABILITY AND REACTIVITY
  Reactivity
    no data available
  Chemical stability
    no data available
  Possibility of hazardous reactions
    Reacts violently with water.
  Conditions to avoid
    Exposure to moisture.
  Incompatible materials
    Alcohols, Water
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation
    May be harmful if inhaled. Material is extremely destructive to the tissue of
    the mucous membranes and upper respiratory tract.
  Ingestion        May be harmful if swallowed. Causes burns.    
  Skin        May be harmful if absorbed through skin. Causes skin burns.    
  Eyes
    Causes eye burns.
  Signs and Symptoms of Exposure
    Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
    skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
    pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
    Headache, Nausea
  Additional Information
    RTECS: Not available

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
    as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
    company.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: 3399        IMDG: 3399        IATA: 3399    
  UN proper shipping name
    ADR/RID: ORGANOMETALLIC SUBSTANCE, LIQUID, WATER-REACTIVE, FLAMMABLE (S-Alpine-
    Hydride™ Alpine-Hydride)
    IMDG:        ORGANOMETALLIC SUBSTANCE, LIQUID, WATER-REACTIVE, FLAMMABLE (S-Alpine-    
    Hydride™ Alpine-Hydride)
    Organometallic substance, liquid, water-reactive, flammable (S-Alpine-Hydride™ Alpine-
    IATA:
    Hydride)
  Transport hazard class(es)
    ADR/RID: 4.3 (3)        IMDG: 4.3 (3)        IATA: 4.3 (3)    
  Packaging group
    ADR/RID: I        IMDG: I        IATA: I    
  Environmental hazards
    ADR/RID: no        IMDG Marine Pollutant: no        IATA: no    
  Special precautions for user
    no data available



SECTION 15 - REGULATORY INFORMATION
N/A


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


暂无

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:1

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:20

8.表面电荷:0

9.复杂度:344

10.同位素原子数量:0

11.确定原子立构中心数量:4

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:2

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