三丁基(2-噻吩基)锡

三丁基(2-噻吩基)锡 基本信息
CAS号 54663-78-4 分子式 C16H30SSn
分子量 373.17500 精确质量  374.10900
PSA  28.24000 LogP  5.80420

基本信息 展开↓

CAS号:
54663-78-4
3D弹球模型:
立即前往扯扯看
分子式:
C16H30SSn
分子量:
373.17500
中文名称:
三丁基(2-噻吩基)锡
英文名称:
2-(Tributylstannyl)Thiophene
中文别名:
三丁基(2-噻吩基)锡;
2-(三-N-丁基甲锡烷基)噻吩;
2-三丁基甲锡烷基噻吩
英文别名:
2-(Tributylstannyl)Thiophene;
tributyl(thiophen-2-yl)stannane
精确分子量/精确质量:
374.10900
极性分子表面积/PSA:
28.24000
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:
MFCD00192513
PubChem:
24865938
InChI:
InChI=1/C4H3S.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;/rC16H30SSn/c1-4-7-13-18(14-8-5-2,15-9-6-3)16-11-10-12-17-16/h10-12H,4-9,13-15H2,1-3H3

物化性质展开↓

密度:
1.175 g/mL at 25 °C(lit.)
沸点:
155 °C0.1 mm Hg(lit.)
闪点:
221 °F
折射率:
n20/D 1.518(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

        

其它信息:

1.       性状:未确定

2.       密度(g/mL,25ºC):1.175

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(ºC0.1mm hg):155

7.       折射率:n20/D 1.518(lit.)

8.       闪点(°F):221

9.       比旋光度(ºC):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,60ºC):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↓

包装等级:
III
风险类别:
6.1(b)
海关代码:
2934999090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R21:Harmful in contact with skin. R25:Toxic if swallowed. R36/38:Irritating to eyes and skin . R48/23/25:Toxic: danger of serious damage to health by prolonged exposure through inhalation and if swallowed . R50/53:Very Toxic to aquatic organisms, may caus
安全说明:
S35-S36/37/39-S45-S60-S61
安全标志:
S35:本物质残余以及它的容器必须用安全方式处置。
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。
:
危险标志:
T,N

合成路线查看所有的合成路线

  • 188290-36-0

    Thiophene(SIV)

  • +

  • 1461-22-9

    三丁基氯化锡

  • ~99%

  • 54663-78-4

    三丁基(2-噻吩基)锡

  • 3437-95-4

    2-碘噻吩

  • +

  • 813-19-4

    六正丁基二锡

  • ~96%

  • 54663-78-4

    三丁基(2-噻吩基)锡

  • 3437-95-4

    2-碘噻吩

  • +

  • 813-19-4

    六正丁基二锡

  • ~94%

  • 7342-47-4

    碘基三丁基锡

  • +

  • 54663-78-4

    三丁基(2-噻吩基)锡

毒理性展开↓

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : 2-(Tributylstannyl)thiophene    
    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.
    CAS-No.        : 54663-78-4    
  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
    Acute toxicity, Oral (Category 3), H301
    Specific target organ toxicity - repeated exposure (Category 1), H372
    Acute toxicity, Dermal (Category 4), H312
    Eye irritation (Category 2), H319
    Skin irritation (Category 2), H315
    Acute aquatic toxicity (Category 1), H400
    Chronic aquatic toxicity (Category 1), H410
    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
    T Toxic        R25, R48/23/25    
    Xn Harmful        R21    
    Xi Irritant        R36/38    
    N Dangerous for the        R50/53    
    environment
    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)
    H301        Toxic if swallowed.    
    H312        Harmful in contact with skin.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H372        Causes damage to organs through prolonged or repeated exposure.    
    H410        Very toxic to aquatic life with long lasting effects.    
    Precautionary statement(s)
    P273        Avoid release to the environment.    
    P280        Wear protective gloves/ protective clothing.    
    P301 + P310        IF SWALLOWED: Immediately call a POISON CENTER or doctor/    
    physician.
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    P314        Get medical advice/ attention if you feel unwell.    
    P501        Dispose of contents/ container to an approved waste disposal plant.    
    Supplemental Hazard        none    
    Statements
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Formula        : C16H30SSn    
    Molecular Weight        : 373,18 g/mol    
    CAS-No.        : 54663-78-4    
    Index-No.        : 050-008-00-3    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  2-(Tributylstannyl)thiophene
    CAS-No.        54663-78-4        Acute Tox. 3; STOT RE 1;        <= 100 %    
    Index-No.        050-008-00-3        Acute Tox. 4; Eye Irrit. 2; Skin    
    Irrit. 2; Aquatic Acute 1;
    Aquatic Chronic 1; H301,
    H312, H315, H319, H372,
    H410
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  2-(Tributylstannyl)thiophene
    CAS-No.        54663-78-4        T, N, R21 - R25 - R36/38 -        <= 100 %    
    Index-No.        050-008-00-3        R48/23/25 - 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
    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
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides, Sulphur oxides, Tin/tin 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
    Wear respiratory protection. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
    Evacuate personnel to safe 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
    Soak up with inert absorbent material and dispose of as hazardous waste. 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 contact with skin and eyes. Avoid inhalation of vapour or mist.
    Normal measures for preventive fire protection.
    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.
  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.
  Body Protection
    Complete suit protecting against chemicals, 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: 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 155 °C at 0,1 hPa - lit.
    boiling range
    g) Flash point        105 °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        1,175 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
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents
  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:        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
    Causes damage to organs through prolonged or repeated exposure.
  Aspiration hazard
    no data available
  Additional Information
    RTECS: Not available
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

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 with long lasting effects.

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: 2788        IMDG: 2788        IATA: 2788    
  UN proper shipping name
    ADR/RID: ORGANOTIN COMPOUND, LIQUID, N.O.S. (2-(Tributylstannyl)thiophene)
    IMDG: ORGANOTIN COMPOUND, LIQUID, N.O.S. (2-(Tributylstannyl)thiophene)
    IATA:        Organotin compound, liquid, n.o.s. (2-(Tributylstannyl)thiophene)    
  Transport hazard class(es)
    ADR/RID: 6.1        IMDG: 6.1        IATA: 6.1    
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III    
  Environmental hazards
    ADR/RID: yes        IMDG Marine pollutant: yes        IATA: no    
  Special precautions for user
    no data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Full text of H-Statements referred to under sections 2 and 3.
    Acute Tox.        Acute toxicity    
    Aquatic Acute        Acute aquatic toxicity    
    Aquatic Chronic        Chronic aquatic toxicity    
    Eye Irrit.        Eye irritation    
    H301        Toxic if swallowed.    
    H312        Harmful in contact with skin.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H372        Causes damage to organs through prolonged or repeated exposure.    
    H400        Very toxic to aquatic life.    
    H410        Very toxic to aquatic life with long lasting effects.    
  Full text of R-phrases referred to under sections 2 and 3
    N        Dangerous for the environment    
    T        Toxic    
    R21        Harmful in contact with skin.    
    R25        Toxic if swallowed.    
    R36/38        Irritating to eyes and skin.    
    R48/23/25        Toxic: danger of serious damage to health by prolonged exposure through inhalation    
    and if swallowed.
    R50/53        Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic    
    environment.
  Further information
    Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    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
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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:1

4.可旋转化学键数量:10

5.互变异构体数量:无

6.拓扑分子极性表面积28.2

7.重原子数量:18

8.表面电荷:0

9.复杂度:184

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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