二苯乙烯-4,4’-二醇

二苯乙烯-4,4’-二醇 基本信息
CAS号 659-22-3 分子式 C14H12O2
分子量 212.24400 精确质量  212.08400
PSA  40.46000 LogP  3.26820

等价的CAS号:

659-22-3,15058-36-3,29884-51-3

基本信息 展开↓

CAS号:
659-22-3
3D弹球模型:
立即前往扯扯看
分子式:
C14H12O2
分子量:
212.24400
中文名称:
二苯乙烯-4,4’-二醇
英文名称:
stilbene-4,4'-diol
中文别名:
二苯乙烯-4,4’-二醇;
二苯乙烯-4,4`-二醇;
二苯乙烯-4,4'-二醇
英文别名:
stilbene-4,4'-diol;
trans-Stilbene-4,4'-diol;
DIHYDROXYSTILBENE,4,4'-(P);
STILBENE-4,4'-DIOL;
trans-4,4'-dihydroxystilbene;
4,4'-Dihydroxy-trans-stilbene;
4,4'-dihydroxy stilbene;
E-4,4'-(1,2-ethenediyl)bisphenol;
(E)-4-<2-(4-hydroxyphenyl)ethenyl>phenol;
p,p'-Dihydroxystilbene;
4-hydroxyl-4'-hydroxyl-trans-stilbene;
4,4'-DIHYDROXYSTILBENE;
4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol;
4,4'-Dioxystilbene;
4,4'-Stilbenediol;
4,4'-(1,2-Ethenediyl)bisphenol
精确分子量/精确质量:
212.08400
极性分子表面积/PSA:
40.46000
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:
211-530-9
InChI:
The Key: XLAIWHIOIFKLEO-UHFFFAOYSA-N

物化性质

密度:
1.252g/cm3
沸点:
386ºC at 760 mmHg
闪点:
188.4ºC
折射率:
1.726

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    4,4'-Dihydroxystilbene
    Common Name/
    Trade Name
    Manufacturer
    Commercial Name(s)
    Synonym
    Chemical Name
    Chemical Family
    4,4'-Dihydroxystilbene

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at    
    least 15 minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Cover the irritated skin with an emollient. Remove    
    contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get
    medical attention.
    Serious Skin Contact        Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek medical    
    attention.
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention.
    Serious Inhalation        Not available.    
    Ingestion        Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an    
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Serious Ingestion        Not available.    

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        Not available.    
    Flammable Limits        Not available.    
    Products of Combustion        These products are carbon oxides (CO, CO2).    
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Various Substances        Non-flammable in presence of shocks.    
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    of Various Substances        Risks of explosion of the product in presence of static discharge: Not available.    
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    Special Remarks on        Not available.    
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards

Section 6. Accidental Release Measures
    Small Spill        Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by    
    spreading water on the contaminated surface and dispose of according to local and regional authority
    requirements.
    Large Spill        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water    
    on the contaminated surface and allow to evacuate through the sanitary system.
    4,4'-Dihydroxystilbene

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the    
    residue under a fume hood. Ground all equipment containing material. Do not breathe dust. Wear suitable
    protective clothing. In case of insufficient ventilation, wear suitable respiratory equipment. If you feel unwell, seek
    medical attention and show the label when possible. Avoid contact with skin and eyes.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above 25°C (77°F).    

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent.    
    Gloves.
    Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
    a Large Spill        to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist    
    BEFORE handling this product.
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Physical state and appearance Solid. (crystalline powder.)        Odor        Not available.    
    Not available.
    Taste
    Molecular Weight        212.26 g/mole    
    Off-white.
    Color
    Not available.
    pH (1% soln/water)
    Boiling Point        Not available.    
    Melting Point        294.5°C (562.1°F)    
    Critical Temperature        Not available.    
    Specific Gravity        Not available.    
    Not applicable.
    Vapor Pressure
    Vapor Density        Not available.    
    Not available.
    Volatility
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Ionicity (in Water)        Not available.    
    Dispersion Properties        Not available.    
    Solubility        Not available.    

Section 10. Stability and Reactivity Data
    Stability        The product is stable.    
    Instability Temperature        Not available.    
    Conditions of Instability        Excess heat, incompatible materials    
    Incompatibility with various        Not available.    
    substances
    Corrosivity        Not available.    
    4,4'-Dihydroxystilbene
    Special Remarks on        Not available.    
    Reactivity
    Special Remarks on        Not available.    
    Corrosivity
    Polymerization        Will not occur.    

Section 11. Toxicological Information
    Routes of Entry        Inhalation. Ingestion.    
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Hazardous in case of skin contact (irritant), of ingestion, of inhalation (lung irritant).    
    Humans
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        Not available.    
    Chronic Effects on Humans
    Special Remarks on other        Acute Potential Health Hazards:    
    Toxic Effects on Humans        Skin: May cause skin irritation.    
    Eyes: May cause eye irritation.
    Inhalation: May cause respiratory tract irritation.
    Ingestion: May cause digestive tract irritation.
    The toxicological properties of this substance have not been fully investigated.

Section 12. Ecological Information
    Ecotoxicity        Not available.    
    Not available.
    BOD5 and COD
    Possibly hazardous short term degradation products are not likely. However, long term degradation products may
    Products of Biodegradation
    arise.
    Toxicity of the Products        The product itself and its products of degradation are not toxic.    
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation

Section 13. Disposal Considerations
    Waste Disposal        Waste must be disposed of in accordance with federal, state and local environmental    
    control regulations.

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Identification        Not applicable.    
    Special Provisions for        Not applicable.    
    Transport
    4,4'-Dihydroxystilbene
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: 4,4'-Dihydroxystilbene
    Federal and State
    Regulations
    California
    Proposition 65
    Warnings
    Other Regulations        EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances.    
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        R36/37/38- Irritating to eyes,        S22- Do not breathe dust.    
    respiratory system and skin.
    Health Hazard
    HMIS (U.S.A.)        2 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    2 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent.
    4,4'-Dihydroxystilbene


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):3.5

2.氢键供体数量:2

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:5

6.拓扑分子极性表面积:40.5

7.重原子数量:16

8.表面电荷:0

9.复杂度:197

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:1

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

下游产品

  • 4705-34-4

    4,4'-二甲氧基芪

  • 6052-84-2

    bi苄基-4,4-二醇

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便