4,4’-二苯基二苯甲酮

4,4’-二苯基二苯甲酮 基本信息
CAS号 3478-90-8 分子式 C25H18O
分子量 334.41000 精确质量 　334.13600
PSA 　17.07000 LogP 　6.25160
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
3478-90-8
3D弹球模型：
立即前往扯扯看
分子式：
C25H18O
分子量：
334.41000
中文名称：
4,4’-二苯基二苯甲酮
英文名称：
bis(4-phenylphenyl)methanone
中文别名：
4,4’-二苯基二苯甲酮;
4,4'-联苯苯甲酮
英文别名：
bis(4-phenylphenyl)methanone;
bis(biphenyl-4-yl)methanone;
Dibiphenylketon;
4,4'-Diphenyl-benzophenon;
4-Biphenylyl ketone;
Bis-diphenylyl-keton;
di4-phenylphenyl ketone;
dibiphenyl-4-ylmethanone;
BIS(BIPHENYLYL) KETONE;
4,4'-Diphenylbenzophenone
精确分子量/精确质量：
334.13600
极性分子表面积/PSA：
17.07000
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：
MFCD00016575
BRN：
1885447
InChI：
The Key: QRQHCGWCUVLPSQ-UHFFFAOYSA-N

物化性质展开↓

外观与性状：
白色至奶油色固体
密度：
1.121 g/cm3
熔点：
228-229ºC
沸点：
523.7ºC at 760 mmHg
闪点：
229.7ºC
折射率：
1.623
存储条件/存储方法：

常温，避光，通风干燥处，密封保存

稳定性相关：

常温常压下稳定

其它信息：

1.       性状：白色固体

2.       密度（g/mL,25/4℃）：未确定

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）：228-229

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：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（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：不能溶解的

安全信息展开↓

海关代码：
2914399090
安全说明：
S22-S24/25
安全标志：
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 3988-03-2

    4,4'-二溴二苯甲酮

  • +

  • 98-80-6

    苯硼酸

  • →

    ~93%

  • 3478-90-8

    4,4’-二苯基二苯甲酮

  • 7664-93-9

    硫酸

  • +

  • 1173-55-3

    1173-55-3

  • →

  • 3478-90-8

    4,4’-二苯基二苯甲酮

  • 60-29-7

    乙醚

  • +

  • 873414-58-5

    1,1-bis-biphenyl-4-yl-2,2-diphenyl-ethane-1,2-diol

  • +

  • 141-52-6

    乙醇钠

  • +

  • 71-43-2

    苯

  • →

  • 119-61-9

    二苯甲酮

  • +

  • 91-01-0

    二苯甲醇

  • +

  • 3478-90-8

    4,4’-二苯基二苯甲酮

  • +

  • 4596-95-6

    4596-95-6

毒理性展开↓

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

    Version 1.0
    Regulation (EC) No 1907/2006
    1 - Product and Company Information
    Product Name        4,4'-DIPHENYLBENZOPHENONE - 250 MG    
    2 - Hazards Identification
    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Not hazardous according to Directive 67/548/EEC.
    3 - Composition/Information on Ingredients
    Product Name        CAS #        EC no        Annex I    
    Index Number
    4,4'-DIPHENYLBENZOPHENONE        3478-90-8 None        None    
    Formula        C25H18O    
    Molecular Weight 334,4100 AMU
    4 - First Aid Measures
    AFTER INHALATION
    If inhaled, remove to fresh air. If breathing becomes difficult,
    call a physician.
    AFTER SKIN CONTACT
    In case of contact, immediately wash skin with soap and copious
    amounts of water.
    AFTER EYE CONTACT
    In case of contact with eyes, flush with copious amounts of
    water for at least 15 minutes. Assure adequate flushing by
    separating the eyelids with fingers. Call a physician.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.
    5 - Fire Fighting Measures
    EXTINGUISHING MEDIA
    ALDRICH        www.molbase.com    
    Suitable: Water spray. Carbon dioxide, dry chemical powder, or
    appropriate foam.
    SPECIAL RISKS
    Specific Hazard(s): Emits toxic fumes under fire conditions.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.
    6 - Accidental Release Measures
    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Exercise appropriate precautions to minimize direct contact with
    skin or eyes and prevent inhalation of dust.
    METHODS FOR CLEANING UP
    Sweep up, place in a bag and hold for waste disposal. Avoid
    raising dust. Ventilate area and wash spill site after material
    pickup is complete.
    7 - Handling and Storage
    HANDLING
    Directions for Safe Handling: Avoid inhalation. Avoid contact
    with eyes, skin, and clothing. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed.
    8 - Exposure Controls / Personal Protection
    ENGINEERING CONTROLS
    Safety shower and eye bath. Mechanical exhaust required.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). Respiratory protection is not required. Where
    protection from nuisance levels of dusts are desired, use type N95
    (US) or type P1 (EN 143) dust masks.
    Hand Protection: Protective gloves.
    Eye Protection: Chemical safety goggles.
    9 - Physical and Chemical Properties
    Appearance        Physical State: Solid    
    Property        Value        At Temperature or Pressure    
    pH        N/A    
    BP/BP Range        N/A    
    MP/MP Range        228,000. - 229,000 °    
    C.
    Flash Point        N/A    
    Flammability        N/A    
    ALDRICH        www.molbase.com    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient Log Kow: 6,748
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    
    10 - Stability and Reactivity
    STABILITY
    Stable: Stable.
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur
    11 - Toxicological Information
    SIGNS AND SYMPTOMS OF EXPOSURE
    To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
    ROUTE OF EXPOSURE
    Skin Contact: May cause skin irritation.
    Skin Absorption: May be harmful if absorbed through the skin.
    Eye Contact: May cause eye irritation.
    Inhalation: May be harmful if inhaled. Material may be
    irritating to mucous membranes and upper respiratory tract.
    Ingestion: May be harmful if swallowed.
    12 - Ecological Information
    No data available.
    13 - Disposal Considerations
    SUBSTANCE DISPOSAL
    Contact a licensed professional waste disposal service to dispose
    of this material. Dissolve or mix the material with a combustible
    solvent and burn in a chemical incinerator equipped with an
    afterburner and scrubber. Observe all federal, state, and local
    environmental regulations.
    14 - Transport Information
    ALDRICH        www.molbase.com    
    RID/ADR
    Non-hazardous for road transport.
    IMDG
    Non-hazardous for sea transport.
    IATA
    Non-hazardous for air transport.
    15 - Regulatory Information
    Not hazardous according to Directive 67/548/EEC.
    Caution: Substance not yet fully tested (EU).
    16 - Other Information
    WARRANTY
    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. Inc.,
    shall not be held liable for any damage resulting from handling or
    from contact with the above product. See reverse side of invoice
    or packing slip for additional terms and conditions of sale.
    Copyright 2010 Co. License granted to make
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.
    ALDRICH        www.molbase.com    

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2914399090

概述：
2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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, 丙酮报明包装
摘要/Summary：
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . 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、   摩尔折射率：105.22

2、   摩尔体积（m3/mol）：298.1

3、   等张比容（90.2K）：773.6

4、   表面张力（dyne/cm）：45.3

5、   极化率（10-24cm3）：41.71

计算化学数据

1.疏水参数计算参考值（XlogP）:6.5

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:4

5.互变异构体数量:无

6.拓扑分子极性表面积17.1

7.重原子数量:26

8.表面电荷:0

9.复杂度:387

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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