1,4-苯二丙烯酸二乙酯

1,4-苯二丙烯酸二乙酯 基本信息
CAS号 17088-28-7 分子式 C16H18O4
分子量 274.31200 精确质量  274.12100
PSA  52.60000 LogP  2.83920

基本信息 展开↓

CAS号:
17088-28-7
3D弹球模型:
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分子式:
C16H18O4
分子量:
274.31200
中文名称:
1,4-苯二丙烯酸二乙酯
英文名称:
1,4-PHENYLENEDIACRYLIC ACID DIETHYL ESTER
中文别名:
1,4-苯二丙烯酸二乙酯;
1,4-聚苯二丙烯酸二乙酯
英文别名:
1,4-PHENYLENEDIACRYLIC ACID DIETHYL ESTER;
Diethyl p-Phenylen-
精确分子量/精确质量:
274.12100
极性分子表面积/PSA:
52.60000
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。
EINECS:
241-150-9
InChI:
The Key: QYGWZBFQWUBYAT-UHFFFAOYSA-N

物化性质展开↓

密度:
1.122 g/cm3
熔点:
95ºC
沸点:
415.8ºC at 760 mmHg
闪点:
207.5ºC
折射率:
1.569
蒸汽压:
4.01E-07mmHg at 25°C
其它信息:

1.       性状:不确定

2.       密度(g/mL,25/4):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):95

5.       沸点(ºC,常压):不确定

6.       沸点(ºC, 5.2kPa):不确定

7.       折射率:不确定

8.       闪点(ºC):不确定

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

合成路线查看所有的合成路线

  • 623-73-4

    重氮乙酸乙酯

  • +

  • 623-27-8

    对苯二甲醛

  • ~95%

  • 17088-28-7

    1,4-苯二丙烯酸二乙酯

  • 624-38-4

    1,4-二碘苯

  • +

  • 140-88-5

    丙烯酸乙酯

  • ~93%

  • 17088-28-7

    1,4-苯二丙烯酸二乙酯

  • 589-29-7

    对苯二甲醇

  • +

  • 1099-45-2

    乙氧甲酰基亚甲基三苯基膦

  • ~85%

  • 17088-28-7

    1,4-苯二丙烯酸二乙酯

化学图谱

  1. 1,4-聚苯二丙烯酸二乙酯质谱(MS)

  2. 1,4-聚苯二丙烯酸二乙酯核磁图(13CNMR)

  3. 1,4-聚苯二丙烯酸二乙酯核磁图(1HNMR)

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MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name 1,4-Phenylenediacrylic Acid Diethyl Ester
    Portland OR
    Synonym        2-Propenoic Acid, 3,3'-(1,4-Phenylene)bis-, Diethyl Ester    
    (9 CI)
    Chemical Formula        C6H4(CH:CHCOOCH2CH3)2    
    CAS Number        17088-28-7    

Section II.        Composition and Information on Ingredients    
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL    
    1,4-Phenylenediacrylic Acid Diethyl Ester        17088-28-7 Not available. Not available.        Not available.    

Section III. Hazards Identification
    Acute Health Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this
    compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
    Eye Contact
    minutes. Get medical attention.
    In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
    Skin Contact
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
    material was ingested; the absence of such signs, however, is not conclusive. SEEK IMMEDIATE MEDICAL ATTENTION in
    case of ingestion of a radioactive material.

Section V.        Fire and Explosion Data    
    Not available.
    Auto-Ignition
    Flammability        May be combustible at high temperature.    
    Flammable Limits        Not available.    
    Flash Points        Not available.    
    Combustion Products        These products are toxic carbon oxides (CO, CO2).    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    1,4-Phenylenediacrylic Acid Diethyl Ester

Section VI.        Accidental Release Measures    
    Spill Cleanup        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any    
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    Instructions
    disposal.

Section VII. Handling and Storage
    Handling and Storage        Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool    
    place. Avoid excessive heat and light. Do not breathe dust.
    Information
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
    Engineering Controls
    exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
    below the exposure limit.
    Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
    Personal Protection
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solid.        Solubility    
    Physical state @ 20°C        Not available.    
    Not available.
    Specific Gravity
    274.31
    Molecular Weight        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not applicable.    
    95°C (203°F)        Not available.    
    Melting Point        Vapor Density    
    Not available.        Volatility        Not available.    
    Refractive Index
    Not available.
    Critical Temperature        Not available.        Odor    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    Not available.
    RTECS Number
    Routes of Exposure        Eye Contact. Ingestion. inhalation.    
    Not available.
    Toxicity Data
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Acute Toxic Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
    compound. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this
    compound.

Section XII.        Ecological Information    
    Not available.
    Ecotoxicity
    Not available.
    Environmental Fate
    Continued on Next Page
    1,4-Phenylenediacrylic Acid Diethyl Ester

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local regional authorities. You may be able to dissove or mix material with a    
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and locl regulations when disposing of the substance.

Section XIV. Transport Information
    Not a DOT controlled material (United States).
    DOT Classification
    PIN Number        Not applicable.    
    Proper Shipping Name        Not applicable.    
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.    
    (EPA)
    WHMIS Classification        On NDSL.    
    (Canada)
    EINECS Number (EEC) 214-150-9
    EEC Risk Statements        Not available.    


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


1   摩尔折射率:80.11

2   摩尔体积m3/mol):244.3

3   等张比容90.2K):621.7

4   表面张力3.0 dyne/cm):41.9

5   极化率0.5 10-24cm3):31.75

计算化学数据


1、   疏水参数计算参考值(XlogP):3.2

2、   氢键供体数量:0

3、   氢键受体数量:4

4、   可旋转化学键数量:8

5、   拓扑分子极性表面积(TPSA):52.6

6、   重原子数量:20

7、   表面电荷:0

8、   复杂度:327

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:2

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

上下游相关产品

上游产品

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  • 624-38-4

    1,4-二碘苯

  • 140-88-5

    丙烯酸乙酯

  • 623-73-4

    重氮乙酸乙酯

  • 623-27-8

    对苯二甲醛

  • 589-29-7

    对苯二甲醇

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