3-丁炔-1-基氯甲酸酯

3-丁炔-1-基氯甲酸酯 基本信息
CAS号 190774-49-3 分子式 C5H5ClO2
分子量 132.54500 精确质量  131.99800
PSA  26.30000 LogP  1.38510

基本信息 展开↓

CAS号:
190774-49-3
分子式:
C5H5ClO2
分子量:
132.54500
中文名称:
3-丁炔-1-基氯甲酸酯
英文名称:
but-3-ynyl carbonochloridate
中文别名:
3-丁炔-1-基氯甲酸酯
英文别名:
but-3-ynyl carbonochloridate;
but-3-ynyl chloroformate;
but-3-ynyl-1-oxycarbonyl chloride;
3-Butyn-1-yl chloroformate;
3-butynyl chloroformate;
but-3-yn-1-yl chloroformate;
4-butynyl chloroformate
精确分子量/精确质量:
131.99800
极性分子表面积/PSA:
26.30000
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:
MFCD01863589
PubChem:
24872690

物化性质展开↓

密度:
1.166 g/mL at 25ºC(lit.)
沸点:
149ºC(lit.)
闪点:
135 °F
折射率:
n20/D 1.443(lit.)
蒸汽压:
3.01mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。远离热源,火焰。冷藏温度2-8ºC

稳定性相关:

避免与水分,强氧化剂接触。

其它信息:

1.      性状:液体

2.      密度(g/mL,25):1.166

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):149

6.      沸点(ºC0.2mmHg):未确定

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,217ºC):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:未确定

安全信息展开↓

海关代码:
2915900090
危险类别码:
23/24/25-34
安全说明:
26-27-36/37/39-45
危险标志:
T: Toxic;C: Corrosive;

合成路线查看所有的合成路线

  • 32315-10-9

    二(三氯甲基)碳酸酯

  • +

  • 927-74-2

    3-丁炔-1-醇

  • 190774-49-3

    3-丁炔-1-基氯甲酸酯

  • 75-44-5

    光气

  • +

  • 927-74-2

    3-丁炔-1-醇

  • 190774-49-3

    3-丁炔-1-基氯甲酸酯

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : 3-Butyn-1-yl chloroformate    
    CAS-No.        : 190774-49-3    
  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]
    Acute toxicity, Inhalation (Category 3)
    Acute toxicity, Dermal (Category 3)
    Acute toxicity, Oral (Category 3)
    Skin corrosion (Category 1B)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Toxic by inhalation, in contact with skin and if swallowed. Causes burns.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H301        Toxic if swallowed.    
    H311        Toxic in contact with skin.    
    H314        Causes severe skin burns and eye damage.    
    H331        Toxic if inhaled.    
    Precautionary statement(s)
    P261        Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.    
    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.
    P310        Immediately call a POISON CENTER or doctor/ physician.    
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R23/24/25        Toxic by inhalation, in contact with skin and if swallowed.    
    R34        Causes burns.    
    S-phrase(s)
    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
    Lachrymator.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Formula        : C5H5ClO2    
    Molecular Weight        : 132,55 g/mol    
    Component        Concentration    
  3-Butyn-1-yl chloroformate
    CAS-No.        190774-49-3        -    

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. 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
    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
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides, Hydrogen chloride gas
  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 vapors, mist or gas. Ensure adequate ventilation. Evacuate
    personnel to safe areas.
  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
    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.
  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.
    Recommended storage temperature: 2 - 8 °C
    Handle and open container with care.
  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
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
    the product.
  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, 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    
    Colour: colourless
    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 149 °C - lit.
    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        1,166 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
    no data available
  Conditions to avoid
    Avoid moisture.
  Incompatible materials
    Strong oxidizing agentsStrong oxidizing agents
  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
    Toxic if inhaled. Material is extremely destructive to the tissue of the
    mucous membranes and upper respiratory tract.
  Ingestion        Toxic if swallowed. Causes burns.    
  Skin        Toxic 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
    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: 3489        IMDG: 3489        IATA: 3489    
  UN proper shipping name
    ADR/RID: TOXIC BY INHALATION LIQUID, FLAMMABLE, CORROSIVE, N.O.S. (3-Butyn-1-yl
    chloroformate)
    IMDG: TOXIC BY INHALATION LIQUID, FLAMMABLE, CORROSIVE, N.O.S. (3-Butyn-1-yl
    chloroformate)
    IATA:        Toxic by inhalation liquid, flammable, corrosive, n.o.s. (3-Butyn-1-yl chloroformate)    
    Passenger Aircraft: Not permitted for transport
    Cargo Aircraft: Not permitted for transport
    Special Provisions: “Keep away from heat” label required.
  Transport hazard class(es)
    ADR/RID: 6.1 (3, 8)        IMDG: 6.1 (3, 8)        IATA: 6.1 (3, 8)    
  Packaging group
    ADR/RID: I        IMDG: I        IATA: -    
  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:2915900090

概述:
2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   疏水参数计算参考值(XlogP):1.8

2、   氢键供体数量:0

3、   氢键受体数量:2

4、   可旋转化学键数量:3

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):26.3

7、   重原子数量:8

8、   表面电荷:0

9、   复杂度:122

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

计算化学数据


1.疏水参数计算参考值(XlogP):1.8

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:8

8.表面电荷:0

9.复杂度:122

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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