4,4''-二碘对三联苯

4,4''-二碘对三联苯 基本信息
CAS号 19053-14-6 分子式 C18H12I2
分子量 482.09700 精确质量  481.90300
PSA  0.00000 LogP  6.22980

基本信息 展开↓

CAS号:
19053-14-6
分子式:
C18H12I2
分子量:
482.09700
中文名称:
4,4''-二碘对三联苯
英文名称:
1,4-bis(4-iodophenyl)benzene
中文别名:
4,4''-二碘对三联苯;
4,4-二碘三联苯;
4,4-二碘代-对-三联苯;
4,4’-二碘三联苯;
4,4'-二碘三联苯
英文别名:
1,4-bis(4-iodophenyl)benzene;
4,4''-diiodoterphenyl;
4,4''-Diiodo-1,1':4',1''-terphenyl;
4,4''-diiodo-1,1':4',1''-terphenyl;
4,4''-Diiodo-p-terphenyl;
WT1387;
4,4"-diiodo-p-terphenyl
精确分子量/精确质量:
481.90300
极性分子表面积/PSA:
0.00000
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。
InChI:
InChI=1/C18H12I2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H

物化性质展开↓

外观与性状:
白色晶体粉末
密度:
1.66g/cm3
熔点:
328ºC
沸点:
316.9ºC at 760mmHg
闪点:
145.5ºC
折射率:
1.692
蒸汽压:
1.16E-09mmHg 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):328

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

安全信息展开↓

海关代码:
2903999090

合成路线查看所有的合成路线

  • 92-94-4

    对三联苯

  • ~94%

  • 19053-14-6

    4,4''-二碘对三联苯

  • 92-94-4

    对三联苯

  • ~30%

  • 1762-85-2

    4-碘对三联苯

  • +

  • 19053-14-6

    4,4''-二碘对三联苯

  • 98-80-6

    苯硼酸

  • 19053-14-6

    4,4''-二碘对三联苯

MSDS 展开↓

  4,4''-Diiodo-p-terphenyl      Revision number: 6    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        4,4''-Diiodo-p-terphenyl    
    
  Revision number:        6    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Serious eye damage/eye irritation        Category 1    
  ENVIRONMENTAL HAZARDS
  Acute aquatic hazard        Category 1    
    Category 1
  Long-term aquatic hazard
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Danger    
  Hazard statements        Causes serious eye damage    
    Very toxic to aquatic life
    Very toxic to aquatic life with long lasting effects
  Precautionary statements:
    Avoid release to the environment.
  [Prevention]
    Wear protective gloves/eye protection/face protection.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
  [Response]
    if present and easy to do. Continue rinsing.
    Immediately call a POISON CENTER or doctor/physician.
    Collect spillage.
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        4,4''-Diiodo-p-terphenyl    
  Percent:        >98.0%(GC)    
  CAS Number:        19053-14-6    
  Chemical Formula:        C18H12I2    
  4,4''-Diiodo-p-terphenyl

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Immediately call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Be careful not to let it flow into rivers, etc., since adverse effects on the environment
    are concerned.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust as possible so that workers should not be
  Engineering controls:
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
    Protective gloves.
  Hand protection:
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
  4,4''-Diiodo-p-terphenyl

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Form:        Crystal- Powder    
  Colour:        Very pale yellow - Pale yellow green    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:328°C
  Boiling point/range:        No data available    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        No data available    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen Iodide
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
    No data available
  Soil adsorption (Koc):
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve 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 local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        9: Miscellaneous dangerous goods.    
  4,4''-Diiodo-p-terphenyl

Section 14. TRANSPORT INFORMATION
  UN-No:        3152    
  Packing group:        II    
  Marine pollutant        Y    

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2903999090

概述:
2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 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
摘要/Summary:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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:101.25

2、  摩尔体积(m3/mol):264.1

3、  等张比容(90.2K):705.2

4、  表面张力(dyne/cm):50.8

5、  极化率10-24cm3):40.13

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:0

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:20

8.表面电荷:0

9.复杂度:250

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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