N,N'-二甲基喹吖啶酮

N,N'-二甲基喹吖啶酮 基本信息
CAS号 19205-19-7 分子式 C22H16N2O2
分子量 340.37500 精确质量  340.12100
PSA  44.00000 LogP  3.69680

基本信息 展开↓

CAS号:
19205-19-7
分子式:
C22H16N2O2
分子量:
340.37500
中文名称:
N,N'-二甲基喹吖啶酮
英文名称:
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
中文别名:
N,N'-二甲基喹吖啶酮;
5,12-二氢-5,12-二甲基喹啉并[2,3-b]吖啶-7,14-二酮;
N,N-二甲基喹吖啶酮;
5,12-二氢-5,12-二甲基喹[2,3-b]吖啶-7,14-二酮;
N,N’-二甲基喹吖啶酮
英文别名:
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;
5,12-Dimethylquin[2,3-b]acridine-7,14-dione;
N,N'-(trans)-Dimethyl-chinacridon;
N,N'(trans)-dimethylquinacridone;
DMQA;
5,12-dimethyl-5,12-dihydro-quino[2,3-b]acridine-7,14-dione;
2,9-dimethylquinacridone;
N,N-Dimethylquinacridone;
5,12-Dihydro-5,12-dimethylquino[2,3-b]acridine-7,14-dione;
N,N'-Dimethylquinacridone
精确分子量/精确质量:
340.12100
极性分子表面积/PSA:
44.00000
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/C22H16N2O2/c1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2/h3-12H,1-2H3

物化性质展开↓

密度:
1.32 g/cm3
熔点:
286 °C (dec.)(lit.)
沸点:
576.7ºC at 760 mmHg
闪点:
274.5°C
折射率:
1.686
蒸汽压:
2.66E-13mmHg 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):286 °C (dec.)(lit.)

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:
2933990090
WGK_Germany:
3
德国有关水污染物质的分类清单
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

  • 1047-16-1

    喹吖啶酮

  • +

  • 74-88-4

    甲基碘

  • ~94%

  • 19205-19-7

    N,N'-二甲基喹吖啶酮

  • 1047-16-1

    喹吖啶酮

  • +

  • 80-18-2

    苯磺酸甲酯

  • ~92%

  • 19205-19-7

    N,N'-二甲基喹吖啶酮

  • 1047-16-1

    喹吖啶酮

  • +

  • 77-78-1

    硫酸二甲酯

  • ~92%

  • 19205-19-7

    N,N'-二甲基喹吖啶酮

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name N.N'-Dimethylquinacridone
    Portland OR
    Synonym        5,12-Dimethylaquin[2,3-b]acridine-7,14-dione    
    C22H16N2O2
    Chemical Formula
    CAS Number        19205-19-7    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    N.N'-Dimethylquinacridone        19205-19-7        ---------- Not available.        Not available.    

Section III. Hazards Identification
    Acute Health Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        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. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
    toxic material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Auto-Ignition        Not available.    
    Flammability        May be combustible at high temperature.    
    Flammable Limits
    Flash Points        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2).    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    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.    
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    N.N'-Dimethylquinacridone

Section VI.        Accidental Release Measures    
    Spill Cleanup        Light Sensitive Material.    
    Instructions        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any    
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.

Section VII. Handling and Storage
    Handling and Storage        LIGHT SENSITIVE. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and    
    store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust.
    Information
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. 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. Boots. Gloves. Suggested protective clothing might not be sufficient; consult    
    a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Solid. (Yellowish-Red Powder)        Not available.    
    Not available.
    Specific Gravity
    Molecular Weight        340.37        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not applicable.    
    Melting Point        285.8°C (546.4°F)        Vapor Density        Not available.    
    Not available.        Volatility        Not available.    
    Refractive Index
    Critical Temperature        Odor        Not available.    
    Not available.
    Not available.        Not available.    
    Viscosity        Taste    

Section X.        Stability and Reactivity Data    

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Stability
    Conditions of Instability
    Avoid excessive heat and light.
    Incompatibilities
    Reactive with strong oxidizing agents.

Section XI. Toxicological Information
    RTECS Number        Not available.    
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    Not available.
    Toxicity Data
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    Acute Toxic Effects
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Continued on Next Page
    N.N'-Dimethylquinacridone

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    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 XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not applicable.    
    Proper Shipping Name
    Not applicable.
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.    
    (EPA)
    WHMIS Classification
    Not available.
    (Canada)
    EINECS Number (EEC) Not available.
    EEC Risk Statements        Not available.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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:98.14

2、   摩尔体积(m3/mol):257.8

3、   等张比容(90.2K):706.6

4、   表面张力(dyne/cm):56.4

5、   极化率10-24cm3):38.90

计算化学数据


1.疏水参数计算参考值(XlogP):4.3

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积40.6

7.重原子数量:26

8.表面电荷:0

9.复杂度:553

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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  • 1047-16-1

    喹吖啶酮

  • 74-88-4

    甲基碘

  • 77-78-1

    硫酸二甲酯

  • 80-18-2

    苯磺酸甲酯

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