鄰氯苯基乙基醚

鄰氯苯基乙基醚 基本信息
CAS号 614-72-2 分子式 C8H9ClO
分子量 156.60900 精确质量  156.03400
PSA  9.23000 LogP  2.73870

基本信息 展开↓

CAS号:
614-72-2
3D弹球模型:
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分子式:
C8H9ClO
分子量:
156.60900
中文名称:
鄰氯苯基乙基醚
英文名称:
2-Chlorophenetole
中文别名:
鄰氯苯基乙基醚;
2-氯苯乙醚;
邻氯苯乙醚;
邻氯苯基乙基醚;
邻氯乙氧基苯
英文别名:
2-Chlorophenetole;
1-chloro-2-ethoxybenzene
精确分子量/精确质量:
156.03400
极性分子表面积/PSA:
9.23000
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。
EINECS:
210-392-7
InChI:
InChI=1/C8H9ClO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3

物化性质展开↓

密度:
1,14 g/cm3
沸点:
210 °C
闪点:
82.3ºC
折射率:
1.51
存储条件/存储方法:

贮存:

将密器密封,储存密封的主藏器内,并放在阴凉, 干爽的位置。

稳定性相关:

性质与稳定性:

常温常压下,或不分解产物。

安全信息展开↓

海关代码:
2909309090
危险类别码:
R36/37/38
安全说明:
S26-S36/37/39
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

  • 64-67-5

    硫酸二乙酯

  • +

  • 95-57-8

    邻氯苯酚

  • ~86%

  • 614-72-2

    鄰氯苯基乙基醚

  • 103-73-1

    苯乙醚

  • ~7%

  • 622-61-7

    对氯苯乙醚

  • +

  • 614-72-2

    鄰氯苯基乙基醚

  • 64-19-7

    乙酸

  • +

  • 103-73-1

    苯乙醚

  • 622-61-7

    对氯苯乙醚

  • +

  • 614-72-2

    鄰氯苯基乙基醚

化学图谱

  1. 邻氯乙氧基苯核磁图(1HNMR)

  2. 邻氯乙氧基苯Raman光谱

  3. 邻氯乙氧基苯核磁图(13CNMR)

  4. 邻氯乙氧基苯质谱(MS)

  5. 邻氯乙氧基苯红外图谱(IR1)

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毒理性展开↓

生态数据:

三、生态学数据:

1、其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

  2-Chlorophenetole      Revision number: 1    
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        2-Chlorophenetole    

  Revision number:        1    

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS
  Flammable liquids        Category 4    
    Not classified
  HEALTH HAZARDS
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements
  Pictograms or hazard symbols        None    
    Warning
  Signal word
  Hazard statement        Combustible liquid    
  Precautionary statements
  [Prevention]        Keep away from flames and hot surfaces.    
    Wear protective gloves and eye/face protection.
  [Storage]        Store in a well-ventilated place. Keep cool.    
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        2-Chlorophenetole    
  Percent:        >99.0%(GC)    
    614-72-2
  CAS Number:
  Synonyms:        1-Chloro-2-ethoxybenzene    
  Chemical Formula:        C8H9ClO    

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

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Extinguishing media not to Solid streams of water
  be used:
  Specific hazards:        Take care as it may decompose upon combustion or in high temperatures to    
    generate poisonous fume.
  Specific methods:        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
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  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
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapor 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.    
  Storage
  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:        Law is followed.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust as possible so that workers should not be
  Engineering controls:
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  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    
  Color:        Colorless - Slightly pale yellow    
  Odor:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
    210 °C
  Boiling Point/Range:
  Flash Point:        No data available    
  2-Chlorophenetole

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Explosive limits
    No data available
  Lower:
  Upper:        No data available    
    1.14
  Density:
  Solubility:        No data available    

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
  Reactivity:        No special reactivity has been reported.    
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride
  Products:

Section 11. TOXICOLOGICAL INFORMATION
    No data available
  Acute Toxicity:
  Skin corrosion/irritation: No data available
    No data available
  Serious eye
  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):
  Mobillity 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    

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


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2909309090

概述:
2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物(包括亚硝化衍生物)。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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:42.45

2   摩尔体积(m3/mol):141.8

3   等张比容(90.2K):339.5

4   表面张力(dyne/cm):32.8

5 极化率(10-24cm3):16.83

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: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9.2

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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