N-甲基-3-甲氧基苯胺

N-甲基-3-甲氧基苯胺 基本信息
CAS号 14318-66-2 分子式 C8H11NO
分子量 137.17900 精确质量  137.08400
PSA  21.26000 LogP  1.80990

基本信息 展开↓

CAS号:
14318-66-2
3D弹球模型:
立即前往扯扯看
分子式:
C8H11NO
分子量:
137.17900
中文名称:
N-甲基-3-甲氧基苯胺
英文名称:
3-Methoxy-N-methylaniline
中文别名:
N-甲基-3-甲氧基苯胺;
3-甲氧基-N-甲基苯胺;
N-甲基-间茴香胺
英文别名:
3-Methoxy-N-methylaniline;
3-Methoxy-N-Methylaniline;
3-METHOXY-N-METHYLANILINE
精确分子量/精确质量:
137.08400
极性分子表面积/PSA:
21.26000
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:
MFCD05665953
EINECS:
238-259-9
PubChem:
24882364
InChI:
InChI=1/C8H11NO/c1-9-7-4-3-5-8(6-7)10-2/h3-6,9H,1-2H3

物化性质展开↓

外观与性状:
棕色液体
密度:
1.049
沸点:
239-240ºC
闪点:
110ºC
折射率:
1.569
蒸汽压:
0.0416mmHg at 25°C
存储条件/存储方法:

贮存于阴凉处。保持容器密闭在干燥和通风良好的地方。

其它信息:

1.性状:不可用

2.密度(g/mL,25/4): 1.049

3.相对蒸汽密度(g/mL,空气=1)不可用

4.熔点(ºC):不可用

5.沸点(ºC,常压):239-240

6.沸点(ºC,5.2kPa): 不可用

7.折射率: 1.5690

8.闪点(ºC): 不可用

9.比旋光度(º): 不可用

10.自燃点或引燃温度(ºC): 不可用

11.蒸气压(kPa,25ºC): 不可用

12.饱和蒸气压(kPa,60ºC): 不可用

13.燃烧热(KJ/mol):不可用

14.临界温度(ºC): 不可用

15.临界压力(KPa): 不可用

16.油水(辛醇/水)分配系数的对数值:不可用 

17.爆炸上限(%,V/V):不可用

18.爆炸下限(%,V/V): 不可用

19.溶解性:不可用

安全信息展开↓

海关代码:
2922299090
危险类别码:
R22;R43
安全说明:
S24-S36/37
安全标志:
:
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 50-00-0

    甲醛

  • +

  • 536-90-3

    间氨基苯甲醚

  • ~85%

  • 14318-66-2

    N-甲基-3-甲氧基苯胺

  • 14924-70-0

    14924-70-0

  • ~81%

  • 14318-66-2

    N-甲基-3-甲氧基苯胺

  • 123767-44-2

    1-(azidomethyl)-3-methoxybenzene

  • ~80%

  • 14318-66-2

    N-甲基-3-甲氧基苯胺

毒理性展开↓

毒理学数据:

急性毒性:不可用 。

生态数据:

1、其它有害作用: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        : 3-Methoxy-N-methylaniline    

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    According to Regulation (EC) No1272/2008
    Acute toxicity, Oral (Category 4)
    Eye irritation (Category 2)
    Skin sensitization (Category 1)
    According to European Directive 67/548/EEC as amended.
    May cause sensitization by skin contact. Harmful if swallowed.
  Label elements
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    Harmful if swallowed.
    May cause an allergic skin reaction.
    Causes serious eye irritation.
    Precautionary statement(s)
    Wear protective gloves.
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Hazard symbol(s)
    Xn        Harmful    
    R-phrase(s)
    R43        May cause sensitization by skin contact.    
    R22        Harmful if swallowed.    
    S-phrase(s)
    S37/39        Wear suitable gloves and eye/face protection.    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Synonyms        : N-Methyl-m-anisidine    
    Formula        : C8H11NO    
    Molecular Weight        : 137,18 g/mol    
    CAS-No.        EC-No.        Index-No.        Classification        Concentration    
  N-Methyl-m-anisidine
    14318-66-2        238-259-9        -        Acute Tox. 4; Eye Irrit. 2; Skin -    
    Sens. 1; H302, H317, H319
    Xn, R43 - R22
    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.
  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 inhalation of vapour or mist.
    Normal measures for preventive fire protection.
  Conditions for safe storage
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

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
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
    standard EN 374 derived from it.
    Handle with gloves.
  Eye protection
    Face shield and safety glasses
  Skin and body protection
    Choose body protection according to the amount and concentration of the dangerous substance at the
    work place.
  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    
    Colour        colourless    
  Safety data
    pH no data available
    Melting point        no data available    
    Boiling point        239 - 240 °C - lit.    
    Flash point        > 110 °C - closed cup    
    Ignition temperature no data available
    Lower explosion limit no data available
    Upper explosion limit no data available
    Density        1,049 g/cm3 at 25 °C    
    Water solubility        no data available    
    Partition coefficient: log Pow: 1,698
    n-octanol/water

Section 10. STABILITY AND REACTIVITY
  Chemical stability
    Stable under recommended storage conditions.
  Conditions to avoid
    no data available
  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
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    May cause allergic skin 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
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        Harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. May cause skin irritation.    
  Eyes        May cause eye irritation.    
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
    investigated.
  Additional Information
    RTECS: no data 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
    Observe all federal, state, and local environmental regulations. Contact a licensed professional waste
    disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn
    in a chemical incinerator equipped with an afterburner and scrubber.
  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


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2922299090

概述:
2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
摘要/Summary:
2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; 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↓

分子结构数据


1、摩尔折射率:42.54
2
摩尔体积(cm3/mol):132.8
3
等张比容(90.2K):322.8
4
表面张力(dyne/cm):34.8
5
极化率:16.86
6
介电常数:未确定

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:1

3.氢键受体数量:2

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21.3

7.重原子数量:10

8.表面电荷:0

9.复杂度:95.3

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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