3,3'-二甲基联苯胺

3,3'-二甲基联苯胺 基本信息
CAS号 626-13-1 分子式 C14H15N
分子量 197.27600 精确质量 　197.12000
PSA 　12.03000 LogP 　4.12000
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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：
626-13-1
3D弹球模型：
立即前往扯扯看
分子式：
C14H15N
分子量：
197.27600
中文名称：
3,3'-二甲基联苯胺
英文名称：
3,3'-Dimethyldiphenylamine
中文别名：
3,3'-二甲基联苯胺;
m,m'-二甲基联苯胺;
3,3'-二甲基二苯胺;
3,3'-二甲基二苯基胺;
3,3’-二甲基二苯基胺
英文别名：
3,3'-Dimethyldiphenylamine;
3-methyl-N-(3-methylphenyl)aniline
精确分子量/精确质量：
197.12000
极性分子表面积/PSA：
12.03000
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：
MFCD00059315
InChI：
InChI=1/C14H15N/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3-10,15H,1-2H3

物化性质展开↓

密度：
1.04
熔点：
129-131ºC
沸点：
200 °C
闪点：
200°C/24mm
折射率：
1.611
存储条件/存储方法：

存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。

稳定性相关：

远离氧化物。

其它信息：

1.       性状：粘状液体

2.       密度（g/mL,25/4℃）：1.04

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：200

5.       沸点（ºC,常压）：未确定

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：未确定

安全信息展开↓

海关代码：
2921499090
危险类别码：
36/37/38-22
安全说明：
S26-S36/37/39-S26/36/37-S23
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：
Xn

合成路线查看所有的合成路线

  • 625-95-6

    3-碘甲苯

  • →

    ~91%

  • 626-13-1

    3,3'-二甲基联苯胺

  • 17933-03-8

    3-甲基苯硼酸

  • →

    ~82%

  • 626-13-1

    3,3'-二甲基联苯胺

  • 108-39-4

    间甲酚

  • +

  • 108-44-1

    3-甲基苯胺

  • →

    ~80%

  • 626-13-1

    3,3'-二甲基联苯胺

毒理性展开↓

生态数据：

对水稍微有危害的，不要让未者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

Section I.Chemical Product and Company Identification
    Chemical Name m,m'-Ditolylamine
    Portland OR
    Synonym        3,3'-Dimethyldiphenylamine    
    (CH3C6H4)2NH
    Chemical Formula
    CAS Number        626-13-1    
Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    m,m'-Ditolylamine        626-13-1        Min. 98.0 Not available.        Not available.    
    (GC)
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.
    Toxicity to the reproductive system: Not available.
    There is no known effect from chronic exposure to this product. 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. DO NOT use an eye ointment. Flush eyes with running water for a minimum    
    of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
    supportively.
    Skin Contact        If the chemical gets spilled on a clothed portion of the body, remove the contaminated clothes as quickly as possible,    
    protecting your own hands and body. Place the victim under a deluge shower. If the chemical touches the victim's
    exposed skin, such as the hands: Gently and thoroughly wash the contaminated skin with running water and non-abrasive
    soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the irritated skin with an emollient. Seek
    medical attention. Treat symptomatically and supportively. Wash any contaminated clothing before reusing.
    Inhalation        If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If    
    breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
    Remove dentures if any. Have conscious person drink several glasses of water or milk. INDUCE VOMITING by sticking
    Ingestion
    finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. NEVER give an unconscious
    person anything to ingest. Seek medical attention. Treat symptomatically and supportively.
Section V. Fire and Explosion Data
    Not available.
    Flammability        Combustible.        Auto-Ignition    
    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
    No specific information is available regarding the flammability of this compound in the presence of various materials.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    Risks of explosion of the product in presence of static discharge: Not available.
    No additional information is available regarding the risks of explosion.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Continued on Next Page
    m,m'-Ditolylamine
Section VI.        Accidental Release Measures    
    Spill Cleanup        Combustible material.    
    Instructions        Keep away from heat and sources of ignition. Mechanical exhaust required. Stop leak if without risk. Absorb with an    
    inert material and put the spilled material in an appropriate waste disposal. Finish cleaning the spill by rinsing any
    contaminated surfaces with copious amounts of water.
Section VII. Handling and Storage
    Handling and Storage        LIGHT SENSITIVE. Store in amber bottles in a dark cabinet. Store away from heat and sources of ignition. Mechanical    
    exhaust required. When not in use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and
    Information
    light. Do not breathe gas, fumes, vapor or spray. In case of insufficient ventilation, wear suitable respiratory equipment.
    If you feel unwell, seek medical attention and show the label when possible. Avoid contact with skin and eyes.
    Always store away from incompatible compounds such as oxidizing agents.
Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their    
    respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Personal Protection        Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator should be used to    
    avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE
    handling this product.
    Exposure Limits        Not available.    
Section IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Liquid.        Not available.    
    1.04
    Specific Gravity
    Molecular Weight        197.28        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not available.    
    Melting Point        Not available.        Vapor Density        Not available.    
    Not available.        Volatility        Not available.    
    Refractive Index
    Critical Temperature        Not available.        Odor        Not available.    
    Viscosity        Not available.        Taste        Not available.    
Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with strong oxidizing agents.
Section XI. Toxicological Information
    RTECS Number        Not available.    
    Ingestion. Inhalation.
    Routes of Exposure
    Toxicity Data        Not available.    
    No additional remark.
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    Toxicity to the reproductive system: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.
    Acute Toxic 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.
    Continued on Next Page
    m,m'-Ditolylamine
Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    
Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
    Waste Disposal
    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 this substance.
Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        NONE    
    Proper Shipping Name
    NONE
    Packing Group (PG)        NONE    
    DOT Pictograms
Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not controlled under WHMIS (Canada).    
    (Canada)
    EINECS Number (EEC) Not available.
    EEC Risk Statements        Not controlled under DSCL (Europe).    

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2921499090

概述：
2921499090 其他芳香单胺及衍生物及它们的盐. 增值税率:17.0% 退税率:9.0% 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：
2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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、   摩尔折射率：65.27

2、   摩尔体积（cm3/mol）：188.0

3、   等张比容（90.2K）：475.9

4、   表面张力（dyne/cm）：41.0

5、   极化率（10-24cm3）：25.87

计算化学数据

1.疏水参数计算参考值（XlogP）:4.2

2.氢键供体数量:1

3.氢键受体数量:1

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12

7.重原子数量:15

8.表面电荷:0

9.复杂度:170

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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