N,N-二苯基酞酰胺

N,N-二苯基酞酰胺 基本信息
CAS号 38228-99-8 分子式 C22H20N2O2
分子量 344.40600 精确质量  344.15200
PSA  58.20000 LogP  4.32840

基本信息 展开↓

CAS号:
38228-99-8
3D弹球模型:
立即前往扯扯看
分子式:
C22H20N2O2
分子量:
344.40600
中文名称:
N,N-二苯基酞酰胺
英文名称:
1-N,2-N-dibenzylbenzene-1,2-dicarboxamide
中文别名:
N,N-二苯基酞酰胺;
N,N′-二苄基酞酰胺
英文别名:
1-N,2-N-dibenzylbenzene-1,2-dicarboxamide;
N,N'-Dibenzyl-phthalamid;
Phthalsaeure-bis-benzylamid;
N,N'-Dibenzyl-phthalsaeure-diamid;
Phthalsaeuredibenzylamid;
N,N'-Dibenzylphthalamide
精确分子量/精确质量:
344.15200
极性分子表面积/PSA:
58.20000
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:
MFCD00274279
PubChem:
24868745
InChI:
The Key: STGVIVVZSAQRGJ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.181g/cm3
熔点:
154-156ºC(lit.)
沸点:
634ºC at 760mmHg
闪点:
224.3ºC
折射率:
1.62

安全信息展开↓

海关代码:
2924299090

合成路线查看所有的合成路线

  • 88-99-3

    邻苯二甲酸

  • +

  • 100-46-9

    苯甲胺

  • ~99%

  • 38228-99-8

    N,N-二苯基酞酰胺

  • 158529-52-3

    3,4-dimethoxyphenylmethyleneaminophthalamide

  • +

  • 100-46-9

    苯甲胺

  • ~87%

  • 38228-99-8

    N,N-二苯基酞酰胺

  • 34403-62-8

    2-[(2-chlorophenyl)methylideneamino]isoindole-1,3-dione

  • +

  • 100-46-9

    苯甲胺

  • ~83%

  • 38228-99-8

    N,N-二苯基酞酰胺

MSDS 展开↓

    Version 1.2
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        N,N'-DIBENZYLPHTHALAMIDE, 95%    

    2 - Hazards Identification

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    N,N'-DIBENZYLPHTHALAMIDE, 95%        38228-99-8 None        None    
    Formula        C22H20N2O2    
    Molecular Weight 344,4200 AMU

    4 - First Aid Measures

    AFTER INHALATION
    If inhaled, remove to fresh air. If not breathing give
    artificial respiration. If breathing is difficult, give oxygen.
    AFTER SKIN CONTACT
    In case of contact, immediately wash skin with soap and copious
    amounts of water.
    AFTER EYE CONTACT
    In case of contact, immediately flush eyes with copious amounts
    of water for at least 15 minutes.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.

    5 - Fire Fighting Measures

    EXTINGUISHING MEDIA
    Suitable: Water spray. Carbon dioxide, dry chemical powder, or
    appropriate foam.
    ALDRICH        www.molbase.com    
    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)
    Wear respirator, chemical safety goggles, rubber boots, and
    heavy rubber gloves.
    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. Store in a cool dry
    place.

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Safety shower and eye bath. Mechanical exhaust required.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling. Wash contaminated clothing before
    reuse.
    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 is desired, use multi-purpose combination (US) or type
    ABEK (EN 14387) respirator cartridges.
    Hand Protection: Compatible chemical-resistant gloves.
    Eye Protection: Chemical safety goggles.

    9 - Physical and Chemical Properties

    pH N/A
    BP/BP Range        N/A    
    MP/MP Range        154,000. - 156,000 °    
    C.
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    ALDRICH        www.molbase.com    
    Partition Coefficient N/A
    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
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
    Nitrogen oxides.

    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.
    Eye Contact: May cause eye irritation.
    Inhalation: Material may be irritating to mucous membranes and
    upper respiratory tract.
    Multiple Routes: May be harmful by inhalation, ingestion, or
    skin absorption.

    12 - Ecological Information

    No data available.

    13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    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

    RID/ADR
    Non-hazardous for road transport.
    IMDG
    Non-hazardous for sea transport.
    IATA
    Non-hazardous for air transport.

    ALDRICH        www.molbase.com    
    15 - Regulatory Information

    Caution: Substance not yet fully tested (EU).
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 3
    Self-Classification

    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:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 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, 包装
摘要/Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. 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↓

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:6

5.互变异构体数量:3

6.拓扑分子极性表面积58.2

7.重原子数量:26

8.表面电荷:0

9.复杂度:411

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

上下游相关产品

上游产品

更多
  • 2142-01-0

    N-苄基酞酰亚胺

  • 100-46-9

    苯甲胺

  • 56530-39-3

    1H-Isoindole-1,3(2H)-dione, 2-[[(4-methylphenyl)sulfonyl]oxy]-

  • 84379-71-5

    N-(phthalimidoyloxy)-3-phenylpropionate

  • 88-99-3

    邻苯二甲酸

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便