4-异氰酸基二苯甲酮

4-异氰酸基二苯甲酮 基本信息
CAS号 63648-38-4 分子式 C14H9NO2
分子量 223.22700 精确质量  223.06300
PSA  46.50000 LogP  2.88490

基本信息 展开↓

CAS号:
63648-38-4
3D弹球模型:
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分子式:
C14H9NO2
分子量:
223.22700
中文名称:
4-异氰酸基二苯甲酮
英文名称:
(4-isocyanatophenyl)-phenylmethanone
中文别名:
4-异氰酸基二苯甲酮
英文别名:
(4-isocyanatophenyl)-phenylmethanone;
4-isocyanato-benzophenone;
4-benzophenone isocyanate;
4-Isocyanato-benzophenon;
(4-isocyanato-phenyl)-phenyl-methanone
精确分子量/精确质量:
223.06300
极性分子表面积/PSA:
46.50000
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:
MFCD03701599
PubChem:
24880469
InChI:
The Key: UUUAWYNSKSCNMD-UHFFFAOYSA-N

物化性质展开↓

密度:
1.11g/cm3
熔点:
69-73ºC(lit.)
沸点:
357ºC at 760 mmHg
闪点:
147.1ºC
折射率:
1.58
存储条件/存储方法:

 

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:固体

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):69-73

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

海关代码:
2929109000
危险标志:
Xn

合成路线查看所有的合成路线

  • 26328-59-6

    二苯甲酮-4-异硫氰酸酯

  • ~53%

  • 63648-38-4

    4-异氰酸基二苯甲酮

  • 134919-56-5

    134919-56-5

  • 67-56-1

    甲醇

  • +

  • 63648-38-4

    4-异氰酸基二苯甲酮

  • 134919-56-5

    134919-56-5

  • 63648-38-4

    4-异氰酸基二苯甲酮

毒理性展开↓

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
    Product name        : 4-Isocyanatobenzophenone    

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    According to Regulation (EC) No1272/2008
    Acute toxicity, Inhalation (Category 4)
    Acute toxicity, Dermal (Category 4)
    Acute toxicity, Oral (Category 4)
    Skin irritation (Category 2)
    Eye irritation (Category 2)
    Respiratory sensitization (Category 1)
    Specific target organ toxicity - single exposure (Category 3)
    According to European Directive 67/548/EEC as amended.
    Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. May
    cause sensitization by inhalation.
  Label elements
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    Harmful if swallowed.
    Harmful in contact with skin.
    Causes skin irritation.
    Causes serious eye irritation.
    Harmful if inhaled.
    May cause allergy or asthma symptoms or breathing difficulties if inhaled.
    May cause respiratory irritation.
    Precautionary statement(s)
    Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
    Wear protective gloves/ protective clothing.
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    P342 + P311        If experiencing respiratory symptoms: Call a POISON CENTER or doctor/    
    physician.
    Hazard symbol(s)
    Xn        Harmful    
    R-phrase(s)
    R20/21/22        Harmful by inhalation, in contact with skin and if swallowed.    
    R36/37/38        Irritating to eyes, respiratory system and skin.    
    R42        May cause sensitization by inhalation.    
    S-phrase(s)
    S23        Do not breathe vapour.    
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36        Wear suitable protective clothing.    
  Other hazards
    Lachrymator.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Formula        : C14H9NO2    
    Molecular Weight        : 223,23 g/mol    
    CAS-No.        EC-No.        Index-No.        Classification        Concentration    
  4-Isocyanatobenzophenone
    --        -        Acute Tox. 4; Skin Irrit. 2; Eye        -    
    Irrit. 2; Resp. Sens. 1; STOT
    SE 3; H302, H312, H315,
    H319, H332, H334, H335
    Xn, R20/21/22 - R36/37/38 -
    R42
    For the full text of the H-Statements mentioned in this Section, see Section 16.

Section 4. 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
    Wash off with soap and plenty of water. 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
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special protective equipment for fire-fighters
    Wear self contained breathing apparatus for fire fighting if necessary.

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions
    Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
    Evacuate personnel to safe areas.
  Environmental precautions
    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.

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
    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
    Store under inert gas. Moisture sensitive.

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Personal protective equipment
  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).
  Hand 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.
  Eye protection
    Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate
    government standards such as NIOSH (US) or EN 166(EU).
  Skin and 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.
  Hygiene measures
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at
    the end of workday.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Appearance
    Form        liquid    
  Safety data
    pH no data available
    Melting point        69 - 73 °C - lit.    
    Boiling point        no data available    
    Flash point        no data available    
    Ignition temperature        no data available    
    Lower explosion limit        no data available    
    Upper explosion limit        no data available    
    Water solubility        no data available    

Section 10. STABILITY AND REACTIVITY
  Chemical stability
    Stable under recommended storage conditions.
  Conditions to avoid
    Avoid moisture.
  Materials to avoid
    Strong oxidizing agents
  Hazardous decomposition products
    Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx)

Section 11. TOXICOLOGICAL INFORMATION
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    May cause allergic respiratory reaction.
  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
    Inhalation - May cause respiratory irritation.
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        Harmful if inhaled. Causes respiratory tract irritation.    
  Ingestion
    Harmful if swallowed.
  Skin        Harmful if absorbed through skin. Causes skin irritation.    
  Eyes
    Causes serious eye irritation.
  Signs and Symptoms of Exposure
    burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting
  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
  PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  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
  ADR/RID
    Not dangerous goods
  IMDG
    Not dangerous goods
  IATA
    Not dangerous goods

Section 15. REGULATORY INFORMATION
    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
    handling or from contact with the above product. See reverse side of invoice or packing slip for additional
    terms and conditions of sale.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2929109000

概述:
2929109000. 其他异氰酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. 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):4.2

2、   氢键供体数量:0

3、   氢键受体数量:3

4、   可旋转化学键数量:3

5、   拓扑分子极性表面积(TPSA):46.5

6、   重原子数量:17

7、   表面电荷:0

8、   复杂度:306

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:0

13、   不确定化学键立构中心数量:0

14、   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):无

2.氢键供体数量:0

3.氢键受体数量:3

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46.5

7.重原子数量:17

8.表面电荷:0

9.复杂度:306

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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