二乙基氰化铝

二乙基氰化铝 基本信息
CAS号 5804-85-3 分子式 C5H10AlN
分子量 111.12375 精确质量  111.06287
PSA  23.79000 LogP  2.03508

基本信息 展开↓

CAS号:
5804-85-3
3D弹球模型:
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分子式:
C5H10AlN
分子量:
111.12375
中文名称:
二乙基氰化铝
英文名称:
Aluminum, (cyano-κC)diethyl-
中文别名:
二乙基氰化铝;
氰化二乙基铝
英文别名:
Aluminum, (cyano-κC)diethyl-;
Aluminum, (cyano-C)diethyl-;
Aluminum, cyanodiethyl- (7CI,8CI);
(Cyano-κC)diethylaluminum;
Cyanodiethylalane;
Cyanodiethylaluminum;
Diethylaluminum cyanide
精确分子量/精确质量:
111.06287
极性分子表面积/PSA:
23.79000
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:
MFCD00001764
EINECS:
227-359-8
PubChem:
24856723
BRN:
3587410
InChI:
The Key: KWMUAEYVIFJZEB-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


注意!应在良好迪风橱内选行,处理三乙基铝务必谨慎. 1. 将已称重的500毫升圆底烧瓶(G)装上真空抽气头(E),通过带活塞(C)的接受管(D)与倒立的三乙基铝钢瓶(A)紧密连接。抽气头与真空系统及氮气钢瓶(F)相连。关闭三乙基铝钢瓶阀门(B),打开活塞, 交替地将系统抽空和充氮4次。在最后一次充氮后,打开钢瓶阀门,放入约55毫升(45 .7克,0.40摩尔)三乙基铝到烧瓶中。闭紧阀门,再将系统抽空和充氮3次,并关闭接受管的活塞,然后迅速取下烧瓶,塞紧称重,以精确地测定所加入的三乙基铝的量。烧瓶中放入电磁搅拌棒(H)!装上真空抽气头和250毫升恒压滴液漏斗,再次使系统处于氮气氛下。通过漏斗加入150毫升无水苯以溶解三乙基铝。再将11.9克 (0.44摩尔)氰氢酸于100毫升无水苯的溶液装入漏斗中,在搅拌和冷却下,逐滴加入三乙基铝溶液中,加料速度要均匀,约需2小时加完。当等摩尔量氰氢酸加入后,乙烷的释放立即变慢,·全部加入后,继续搅拌过夜。 此后,拆除漏斗和抽气头,接上短程蒸馏装置,C为硬质玻牌支撑臂并用干燥管保护。在D处用水泵减压蒸出笨,更换接受烧瓶,再接高效真空泵.减压至0.02mm,油浴〔E)加热至约200℃(温度计B),并用热空气或红外灯加热蒸馏头侧管(A)和接受器,先收集约1毫升.流动性的前馏份,在162℃/0.02mm收集淡黄色浆伏物的产品,重26.7克〔60一80%)。在氮气保护下,加入13。毫升无水苯以处理产品,用磁搅拌器(F)搅拌使浆状物溶解,再加入无水苯使溶液总体积达200毫升,充分搅匀,得到浓度为13.4一17.8%肺或1.2-1.6摩尔的氰化二乙基铝溶液,分贮于密封中备用。

合成制备方法


    注意!应在良好迪风橱内选行,处理三乙基铝务必谨慎.
  1.  如图1装置。将已称重的500毫升圆底烧瓶(G)装上真空抽气头(E),通过带活塞(C)的接受管(D)与倒立的三乙基铝钢瓶(A)紧密连接。抽气头与真空系统及氮气钢瓶(F)相连。关闭三乙基铝钢瓶阀门(B),打开活塞,
交替地将系统抽空和充氮4次。在最后一次充氮后,打开钢瓶阀门,放入约55毫升(45 .7克,0.40摩尔)三乙基铝到烧瓶中。闭紧阀门,再将系统抽空和充氮3次,并关闭接受管的活塞,然后迅速取下烧瓶,塞紧称重,以精确地测定所加入的三乙基铝的量。烧瓶中放入电磁搅拌棒(H)!装上真空抽气头和250毫升恒压滴液漏斗,再次使系统处于氮气氛下。通过漏斗加入150毫升无水苯以溶解三乙基铝。再将11.9克  (0.44摩尔)氰氢酸于100毫升无水苯的溶液装入漏斗中,在搅拌和冷却下,逐滴加入三乙基铝溶液中,加料速度要均匀,约需2小时加完。当等摩尔量氰氢酸加入后,乙烷的释放立即变慢,·全部加入后,继续搅拌过夜。
    此后,拆除漏斗和抽气头,接上短程蒸馏装置(图2,C为硬质玻牌支撑臂并用干燥管保护。在D处用水泵减压蒸出笨,更换接受烧瓶,再接高效真空泵.减压至0.02mm,油浴〔E)加热至约200℃(温度计B),并用热空气或红外灯加热蒸馏头侧管(A)和接受器,先收集约1毫升.流动性的前馏份,在162℃/0.02mm收集淡黄色浆伏物的产品,重26.7克〔60一80%)。在氮气保护下,加入13。毫升无水苯以处理产品,用磁搅拌器(F)搅拌使浆状物溶解,再加入无水苯使溶液总体积达200毫升,充分搅匀,得到浓度为13.4一17.8%肺或1.2-1.6摩尔的氰化二乙基铝溶液,分贮于密封中备用。

 

用途简介


常用的氢氰化试剂.

用途


常用的氢氰化试剂.

物化性质展开↓

存储条件/存储方法:

密闭保存,阴凉处避光

稳定性相关:

1.避免强氧化剂,强酸.

2.长时间贮存于安瓶中是稳定的,在四氢吠喃中不稳定。

其它信息:

1.       性状:淡黄色粘稠油状物

2.       密度(g/mL at 25°C):0.864

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,18mmHg):150

7.       折射率(n20/D):未确定

8.       闪点(ºC):7

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:溶于苯、甲苯、已烷或异丙醚.

安全信息展开↓

危险类别码:
11-26/27/28-32-38-48/20-50/53-63-65-67
安全说明:
36/37-45-60-61-62
安全标志:
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)。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
S62:如果不慎吞咽,不要催吐;立刻找医生诊治并出示产品容器或标签。
:
危险标志:
F,T+,N

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Diethylaluminum cyanide solution    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
  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
    Flammable liquids (Category 2), H225
    Acute toxicity, Oral (Category 2), H300
    Acute toxicity, Inhalation (Category 1), H330
    Acute toxicity, Dermal (Category 3), H311
    Skin irritation (Category 2), H315
    Reproductive toxicity (Category 2), H361d
    Specific target organ toxicity - single exposure (Category 3), H336
    Specific target organ toxicity - repeated exposure (Category 2), H373
    Aspiration hazard (Category 1), H304
    Acute aquatic toxicity (Category 1), H400
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    F Highly flammable        R11    
    T+ Very toxic        R26/27/28    
    Xn Harmful        R65, R48/20    
    Xn Harmful        R63    
    Xi Irritant        R38    
    N Dangerous for the        R50/53    
    environment
    R32
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H225        Highly flammable liquid and vapour.    
    H300        Fatal if swallowed.    
    H304        May be fatal if swallowed and enters airways.    
    H311        Toxic in contact with skin.    
    H315        Causes skin irritation.    
    H330        Fatal if inhaled.    
    H336        May cause drowsiness or dizziness.    
    H361d        Suspected of damaging the unborn child.    
    H373        May cause damage to organs through prolonged or repeated exposure.    
    H400        Very toxic to aquatic life.    
    Precautionary statement(s)
    P210        Keep away from heat/sparks/open flames/hot surfaces. - No smoking.    
    P260        Do not breathe dust/ fume/ gas/ mist/ vapours/ spray.    
    P264        Wash hands thoroughly after handling.    
    P273        Avoid release to the environment.    
    P280        Wear protective gloves/ protective clothing.    
    P284        Wear respiratory protection.    
    Supplemental Hazard information (EU)
    EUH032        Contact with acids liberates very toxic gas.    
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)        F Highly flammable    
    T+ Very toxic
    N Dangerous for the environment
    R-phrase(s)
    R11        Highly flammable.    
    R26/27/28        Very toxic by inhalation, in contact with skin and if swallowed.    
    R32        Contact with acids liberates very toxic gas.    
    R38        Irritating to skin.    
    R48/20        Harmful: danger of serious damage to health by prolonged exposure    
    through inhalation.
    R50/53        Very toxic to aquatic organisms, may cause long-term adverse effects in    
    the aquatic environment.
    R63        Possible risk of harm to the unborn child.    
    R65        Harmful: may cause lung damage if swallowed.    
    S-phrase(s)
    S16        Keep away from sources of ignition - No smoking.    
    S28        After contact with skin, wash immediately with plenty of water.    
    S36/37        Wear suitable protective clothing and gloves.    
    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
    Chemical characterization : Natural product
    Formula        : C5H10AlN    
    Molecular Weight        : 111,12 g/mol    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  Toluene
    CAS-No.        108-88-3        Flam. Liq. 2; Skin Irrit. 2; Repr. 50 - 100 %    
    EC-No.        203-625-9        2; STOT SE 3; STOT RE 2;    
    Index-No.        601-021-00-3        Asp. Tox. 1; H225, H304,    
    H315, H336, H361d, H373
  (Cyano-C)diethylaluminium
    CAS-No.        5804-85-3        Acute Tox. 2; Aquatic Acute 1; 10 - 20 %    
    EC-No.        227-359-8        H300, H310, H330, H400,    
    EUH032
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  Toluene
    CAS-No.        108-88-3        F, Xn, Repr.Cat.3, R11 - R38 - 50 - 100 %    
    EC-No.        203-625-9        R48/20 - R63 - R65 - R67    
    Index-No.        601-021-00-3    
  (Cyano-C)diethylaluminium
    CAS-No.        5804-85-3        T+, N, R26/27/28 - R32 -        10 - 20 %    
    EC-No.        227-359-8        R50/53    
    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
    Wash off with soap and plenty of water. Take victim immediately to hospital. 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
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  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, nitrogen oxides (NOx), 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
    Wear respiratory protection. Avoid breathing vapours, 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.
    For personal protection see section 8.
  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.
    For precautions see section 2.2.
  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. Do not store near acids.
    Handle and store under inert gas. Handle and open container with care. Air sensitive.
  Specific end use(s)
    A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
    the product.
  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.
    Full contact
    Material: Fluorinated rubber
    Minimum layer thickness: 0,7 mm
    Break through time: 480 min
    Material tested:Vitoject® (KCL 890 / Z677698, Size M)
    Splash contact
    Material: Fluorinated rubber
    Minimum layer thickness: 0,7 mm
    Break through time: 480 min
    Material tested:Vitoject® (KCL 890 / Z677698, Size M)
    data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300,     test method: EN374
    If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
    contact the supplier of the CE approved gloves. This recommendation is advisory only and must
    be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
    anticipated use by our customers. It should not be construed as offering an approval for any
    specific use scenario.
  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).
  Control of environmental exposure
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
    the environment must be avoided.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: clear, liquid    
    Colour: dark brown
    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        7 °C - closed cup    
    h) Evapouration 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        0,870 g/cm3    
    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
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Heat, flames and sparks. Extremes of temperature and direct sunlight.
  Incompatible materials
    Keep away from water., Strong oxidizing agents, Strong acids
  Hazardous decomposition products
    Other decomposition products - no data available
    In the event of fire: see section 5

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 sensitisation
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        3 - Group 3: Not classifiable as to its carcinogenicity to humans (Toluene)    
  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
  Additional Information
    RTECS: Not available
    Inhalation studies on toluene have demonstrated the development of inflammatory and ulcerous lesions of
    the penis, prepuce, and scrotum in animals., 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

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
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    Very 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: 3123        IMDG: 3123        IATA: 3123    
  UN proper shipping name
    ADR/RID: TOXIC LIQUID, WATER-REACTIVE, N.O.S. ((Cyano-C)diethylaluminium, Toluene)
    IMDG: TOXIC LIQUID, WATER-REACTIVE, N.O.S. ((Cyano-C)diethylaluminium, Toluene)
    IATA:        Toxic liquid, water-reactive, n.o.s. ((Cyano-C)diethylaluminium, Toluene)    
    Passenger Aircraft: Not permitted for transport
  Transport hazard class(es)
    ADR/RID: 6.1 (4.3)        IMDG: 6.1 (4.3)        IATA: 6.1 (4.3)    
  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↓

计算化学数据


1、   疏水参数计算参考值(XlogP):

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:2

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):23.8

7、   重原子数量:7

8、   表面电荷:0

9、   复杂度:77.3

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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