2-(2-甲氧基乙基)吡啶

2-(2-甲氧基乙基)吡啶 基本信息
CAS号 114-91-0 分子式 C8H11NO
分子量 137.17900 精确质量  137.08400
PSA  22.12000 LogP  1.27050

基本信息 展开↓

CAS号:
114-91-0
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:
2-(2-甲氧基乙基)吡啶
英文名称:
2-(2-Methoxyethyl)pyridine
中文别名:
2-(2-甲氧基乙基)吡啶;
美替立啶
英文别名:
2-(2-Methoxyethyl)pyridine;
2-(2-METHOXYETHYL)PYRIDINE
精确分子量/精确质量:
137.08400
极性分子表面积/PSA:
22.12000
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:
MFCD00023547
EINECS:
204-060-0
InChI:
The Key: QRBVCAWHUSTDOT-UHFFFAOYSA-N

物化性质展开↓

密度:
0.991g/cm3
沸点:
203ºC at 760mmHg
闪点:
63.8ºC
折射率:
1.493
蒸汽压:
0.405mmHg at 25°C

安全信息展开↓

海关代码:
2933399090
危险类别码:
36/37/38
安全说明:
26-36/37/39
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。
:

合成路线查看所有的合成路线

  • 100-69-6

    2-乙烯吡啶

  • +

  • 67-56-1

    甲醇

  • ~89%

  • 114-91-0

    2-(2-甲氧基乙基)吡啶

  • 110-67-8

    3-甲氧基丙腈

  • +

  • 74-86-2

    乙炔

  • ~20%

  • 114-91-0

    2-(2-甲氧基乙基)吡啶

  • 110-86-1

    吡啶

  • +

  • 67-56-1

    甲醇

  • +

  • 54509-73-8

    ethene

  • 70289-28-0

    4-(2-methoxyethyl)pyridine

  • +

  • 114-91-0

    2-(2-甲氧基乙基)吡啶

化学图谱

  1. 2-(2-甲氧基乙基)吡啶红外图谱(IR1)

  2. 2-(2-甲氧基乙基)吡啶质谱(MS)

  3. 2-(2-甲氧基乙基)吡啶核磁图(13CNMR)

  4. 2-(2-甲氧基乙基)吡啶核磁图(1HNMR)

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MSDS 展开↓

  2-(2-Methoxyethyl)pyridine      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        2-(2-Methoxyethyl)pyridine    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 4
  Flammable liquids
  HEALTH HAZARDS
    Category 5
  Acute toxicity (Oral)
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols        None    
    Warning
  Signal word
  Hazard statements        Combustible liquid    
    May be harmful if swallowed
  Precautionary statements:
    Keep away from flames and hot surfaces.
  [Prevention]
    Wear protective gloves and eye/face protection.
  [Response]        Call a POISON CENTER or doctor/physician if you feel unwell.    
  [Storage]        Store in a well-ventilated place. Keep cool.    
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
    2-(2-Methoxyethyl)pyridine
  Components:
  Percent:        >97.0%(GC)    
    114-91-0
  CAS Number:
  Chemical Formula:        C8H11NO    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Call a POISON CENTER or doctor/physician if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
    Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
  Ingestion:
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.
  2-(2-Methoxyethyl)pyridine

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Unsuitable extinguishing Solid streams of water
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
  hazards:        case of a fire. Use spark-proof tools and explosion-proof equipment.    

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapour or mist. Keep away from flames and hot surfaces. Take
    measures to prevent the build up of electrostatic charge. Use explosion-proof
    equipment. Wash hands and face thoroughly after handling.
    Use a closed system, ventilation.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool, dark and well-ventilated place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
    Protective gloves.
  Hand protection:
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
  Form:        Clear    
    Colorless - Reddish yellow
  Colour:
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        96°C/2.3kPa    
  2-(2-Methoxyethyl)pyridine

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        1.01    
  Solubility(ies):
    No data available
  [Water]
  [Other solvents]        No data available    

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Conditions to avoid:        Open flame    
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  products:

Section 11. TOXICOLOGICAL INFORMATION
    No data available
  Acute Toxicity:
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available    
    No data available
  Reproductive toxicity:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to 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 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  UN-No:        Not listed    
  2-(2-Methoxyethyl)pyridine

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 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:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. 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


五、分子性质数据:

1、   摩尔折射率:40.27

2、   摩尔体积(m3/mol):138.3

3、   等张比容(90.2K):337.4

4、   表面张力(dyne/cm):34.5

5、   极化率10-24cm3):15.96

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:2

4.可旋转化学键数量:3

5.互变异构体数量:2

6.拓扑分子极性表面积22.1

7.重原子数量:10

8.表面电荷:0

9.复杂度:85.3

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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