三辛基铝

三辛基铝 基本信息
CAS号 1070-00-4 分子式 C24H51Al
分子量 366.65577 精确质量  366.38062
PSA  0.00000 LogP  9.94350

基本信息 展开↓

CAS号:
1070-00-4
3D弹球模型:
立即前往扯扯看
分子式:
C24H51Al
分子量:
366.65577
中文名称:
三辛基铝
英文名称:
Aluminum, trioctyl-
中文别名:
三辛基铝;
三正辛基铝
英文别名:
Aluminum, trioctyl-;
Trioctylaluminum;
Tri-n-octylaluminium;
Tri-n-octylaluminum;
Trioctylalane;
Trioctylaluminium
精确分子量/精确质量:
366.38062
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:
MFCD00040497
EINECS:
213-964-4
PubChem:
24864100
InChI:
InChI=1/3C8H17.Al/c3*1-3-5-7-8-6-4-2;/h3*1,3-8H2,2H3;/rC24H51Al/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3

物化性质展开↓

外观与性状:
透明无色溶液
熔点:
< -40ºC
沸点:
126.4ºC at 760mmHg
闪点:
15.6ºC
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房,远离火源,腐蚀区和易燃易爆区。氮气体保护。

稳定性相关:

与水反应强烈,对水敏感。
避免与潮湿空气,火源和不相容物质接触。
与水,强氧化剂,酸,醇类,氧,有机卤化物反应。

其它信息:

1.      性状:无色透明有溶剂气味的液体

2.      密度(g/mL,25):0.701

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,2mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºF):-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(mmHg,25ºC):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:与水反应强烈

安全信息展开↓

海关代码:
2931900090
危险类别码:
R11
安全说明:
S9-S16-S23-S26-S45-S61-S36-S37-S39
安全标志:
S9:保持容器在一个有良好通风放的场所。
S16:远离火源。
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。
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)。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:
危险标志:
F,C,N

合成路线查看所有的合成路线

  • 16853-85-3

    氢化铝锂

  • +

  • 111-66-0

    1-辛烯

  • +

  • 7325-26-0

    chloro(dioctyl)alumane

  • ~97%

  • 1070-00-4

    三辛基铝

  • 7784-21-6

    氢化铝

  • +

  • 111-66-0

    1-辛烯

  • ~87%

  • 1070-00-4

    三辛基铝

  • 111-66-0

    1-辛烯

  • +

  • 13282-35-4

    tri(butan-2-yl)alumane

  • 1070-00-4

    三辛基铝

毒理性展开↓

生态数据:

对水是极其危害的,即使是小量,对水体中的鱼和浮游生物是有毒害的。

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Trioctylaluminum solution    
  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]
    Flammable liquids (Category 2)
    Substances, which in contact with water, emit flammable gases (Category 1)
    Skin corrosion (Category 1B)
    Reproductive toxicity (Category 2)
    Specific target organ toxicity - single exposure (Category 3)
    Specific target organ toxicity - repeated exposure (Category 2)
    Aspiration hazard (Category 1)
    Chronic aquatic toxicity (Category 2)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Highly flammable. Contact with water liberates extremely flammable gases. Causes severe burns. Harmful:
    may cause lung damage if swallowed. Harmful: danger of serious damage to health by prolonged
    exposure through inhalation. Possible risk of impaired fertility. Toxic to aquatic organisms, may cause long-
    term adverse effects in the aquatic environment. Vapours may cause drowsiness and dizziness. Reacts
    violently with water.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H225        Highly flammable liquid and vapour.    
    H260        In contact with water releases flammable gases which may ignite    
    spontaneously.
    H304        May be fatal if swallowed and enters airways.    
    H314        Causes severe skin burns and eye damage.    
    H336        May cause drowsiness or dizziness.    
    H361f        Suspected of damaging fertility.    
    H373        May cause damage to organs through prolonged or repeated exposure.    
    H411        Toxic to aquatic life with long lasting effects.    
    Precautionary statement(s)
    P210        Keep away from heat/sparks/open flames/hot surfaces. - No smoking.    
    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.    
    P261        Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.    
    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)
    R11        Highly flammable.    
    R14/15        Reacts violently with water, liberating extremely flammable gases.    
    R35        Causes severe burns.    
    R48/20        Harmful: danger of serious damage to health by prolonged exposure    
    through inhalation.
    R51/53        Toxic to aquatic organisms, may cause long-term adverse effects in the    
    aquatic environment.
    R62        Possible risk of impaired fertility.    
    R65        Harmful: may cause lung damage if swallowed.    
    R67        Vapours may cause drowsiness and dizziness.    
    S-phrase(s)
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36/37/39        Wear suitable protective clothing, gloves and eye/face protection.    
    S43        In case of fire, use sand, dry chemical or alcohol-resistant foam.    
    S45        In case of accident or if you feel unwell, seek medical advice immediately    
    (show the label where possible).
    S61        Avoid release to the environment. Refer to special instructions/ Safety    
    data sheets.
    S62        If swallowed, do not induce vomiting: seek medical advice immediately    
    and show this container or label.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Mixtures
    Formula        : C24H51Al    
    Molecular Weight        : 366,64 g/mol    
    Component        Classification        Concentration    
  n-Hexane
    CAS-No.        110-54-3        Flam. Liq. 2; Skin Irrit. 2; Repr. 50 - 100 %    
    EC-No.        203-777-6        2; STOT SE 3; STOT RE 2;    
    Index-No.        601-037-00-0        Asp. Tox. 1; Aquatic Chronic    
    2; H225, H304, H315, H336,
    H361f, H373, H411
    F, Xn, N, Repr.Cat.3, R11 -
    R38 - R48/20 - R62 - R65 -
    R67 - R51/53
  Trioctylaluminium
    CAS-No.        1070-00-4        Pyr. Liq. 1; Water-react. 1;        25 - 50 %    
    EC-No.        213-964-4        Skin Corr. 1B; H250, H260,    
    H314, EUH014
    F, C, R14/15 - R17 - R35
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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, Aluminum oxide
  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 breathing vapors, mist or gas. Ensure adequate ventilation.
    Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
    form explosive concentrations. Vapours can accumulate in low areas.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
    environment must be avoided.
  Methods and materials for containment and cleaning up
    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.
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
    Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
    charge.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
    opened must be carefully resealed and kept upright to prevent leakage.
    Never allow product to get in contact with water during storage.
    Air and moisture sensitive. Handle and store under inert gas.
  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
    Tightly fitting safety goggles. Faceshield (8-inch minimum). 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 antistatic 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 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. 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: liquid    
    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        -21 °C - closed cup    
    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        0,701 g/cm3    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        The substance or mixture is not classified as pyrophoric.    
    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
    Heat, flames and sparks. Extremes of temperature and direct sunlight. Exposure to moisture.
  Incompatible materials
    Water, Oxidizing agents, Strong oxidizing agents, Alcohols, acids, Halogens
  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        Harmful if inhaled. Material is extremely destructive to the tissue of the    
    mucous membranes and upper respiratory tract. Vapours may cause
    drowsiness and dizziness.
  Ingestion        Harmful if swallowed. Causes burns. Aspiration hazard if swallowed - can    
    enter lungs and cause damage.
  Skin        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
    Toxic to aquatic life.

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
    (Trioctylaluminium, n-Hexane)
    IMDG: ORGANOMETALLIC SUBSTANCE, LIQUID, WATER-REACTIVE, FLAMMABLE (n-Hexane,
    Trioctylaluminium)
    IATA:        Organometallic substance, liquid, water-reactive, flammable (n-Hexane, Trioctylaluminium)    
  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

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:366.380615 Da

8、标称质量:366 Da

9、平均质量:366.6433 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:0

4.可旋转化学键数量:21

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:25

8.表面电荷:0

9.复杂度:188

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:1

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