2-烯丙氧基吡啶

2-烯丙氧基吡啶 基本信息
CAS号 5831-77-6 分子式 C8H9NO
分子量 135.16300 精确质量  135.06800
PSA  22.12000 LogP  1.64640

基本信息 展开↓

CAS号:
5831-77-6
3D弹球模型:
立即前往扯扯看
分子式:
C8H9NO
分子量:
135.16300
中文名称:
2-烯丙氧基吡啶
英文名称:
2-prop-2-enoxypyridine
中文别名:
2-烯丙氧基吡啶
英文别名:
2-prop-2-enoxypyridine;
2-Allyloxy-pyridin;
2-ALLYLOXYPYRIDINE;
Allyl 2-pyridyl ether
精确分子量/精确质量:
135.06800
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。
EINECS:
227-409-9
InChI:
The Key: LVLLWFVQZIHMFA-UHFFFAOYSA-N

物化性质展开↓

密度:
1.002g/cm3
沸点:
194ºC at 760mmHg
闪点:
69.4ºC
折射率:
1.505

安全信息展开↓

海关代码:
2933399090
危险类别码:
20/21/22-36/37/38
安全说明:
26-36/37/39

合成路线查看所有的合成路线

  • 20173-55-1

    20173-55-1

  • ~95%

  • 5831-77-6

    2-烯丙氧基吡啶

  • 109-09-1

    2-氯吡啶

  • +

  • 20907-32-8

    sodium allyloxide

  • +

  • 107-18-6

    烯丙醇

  • 5831-77-6

    2-烯丙氧基吡啶

  • 109-04-6

    邻溴吡啶

  • +

  • 107-18-6

    烯丙醇

  • 5831-77-6

    2-烯丙氧基吡啶

MSDS 展开↓

    Version 1.0
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        2-ALLYLOXYPYRIDINE - 50mg    

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Harmful if swallowed. Irritating to respiratory system and skin.
    Risk of serious damage to eyes.

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    2-ALLYLOXYPYRIDINE        5831-77-6 227-409-9 None    
    Formula        C8H9NO    
    Molecular Weight 135,1600 AMU
    Synonyms        Pyridine, 2-(2-propenyloxy)-    

    4 - First Aid Measures

    AFTER INHALATION
    If inhaled, remove to fresh air. If not breathing give
    artificial respiration. If breathing is difficult, give oxygen.
    AFTER SKIN CONTACT
    In case of skin contact, flush with copious amounts of water for
    at least 15 minutes. Remove contaminated clothing and shoes.
    Call a physician.
    AFTER EYE CONTACT
    In case of contact with eyes, flush with copious amounts of
    water for at least 15 minutes. Assure adequate flushing by
    separating the eyelids with fingers. Call a physician.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician immediately.

    ALDRICH        www.molbase.com    
    5 - Fire Fighting Measures

    EXTINGUISHING MEDIA
    Suitable: Water spray. Carbon dioxide, dry chemical powder, or
    appropriate foam.
    SPECIAL RISKS
    Specific Hazard(s): Emits toxic fumes under fire conditions.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.

    6 - Accidental Release Measures

    PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL
    Evacuate area.
    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear self-contained breathing apparatus, rubber boots, and heavy
    rubber gloves.
    METHODS FOR CLEANING UP
    Absorb on sand or vermiculite and place in closed containers for
    disposal. Ventilate area and wash spill site after material
    pickup is complete.

    7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Do not breathe vapor. Do not get
    in eyes, on skin, on clothing. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed.

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Use only in a chemical fume hood. Safety shower and eye bath.
    GENERAL HYGIENE MEASURES
    Wash contaminated clothing before reuse. Wash thoroughly after
    handling.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). 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.
    Hand Protection: Compatible chemical-resistant gloves.
    Eye Protection: Chemical safety goggles.

    9 - Physical and Chemical Properties

    Appearance        Physical State: Liquid    
    ALDRICH        www.molbase.com    
    Property        Value        At Temperature or Pressure    
    pH N/A
    BP/BP Range        N/A    
    MP/MP Range        N/A    
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient Log Kow: 1,728
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    

    10 - Stability and Reactivity

    STABILITY
    Stable: Stable.
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, carbon dioxide,
    and nitrogen oxides.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur

    11 - Toxicological Information

    SENSITIZATION
    Sensitization: Possible sensitizer.
    Skin: Prolonged or repeated exposure may cause allergic
    reactions in certain sensitive individuals. The preceding data,
    or interpretation of data, was determined using Quantitative
    Structure Activity Relationship (QSAR) modeling.
    ROUTE OF EXPOSURE
    Skin Contact: Causes skin irritation.
    Skin Absorption: May be harmful if absorbed through the skin.
    Eye Contact: Causes severe eye irritation.
    Inhalation: Material is irritating to mucous membranes and upper
    respiratory tract. May be harmful if inhaled.
    Ingestion: Toxic if swallowed.

    12 - Ecological Information

    No data available.
    ALDRICH        www.molbase.com    

    13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    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. Observe all federal, state, and local
    environmental regulations.

    14 - Transport Information

    RID/ADR
    UN#: 2810
    Class: 6.1
    PG: III
    Proper Shipping Name: Toxic liquid, organic, n.o.s.
    IMDG
    UN#: 2810
    Class: 6.1
    PG: III
    Proper Shipping Name: Toxic liquid, organic, n.o.s.
    Marine Pollutant: No
    Severe Marine Pollutant: No
    Technical Name: Required
    IATA
    UN#: 2810
    Class: 6.1
    PG: III
    Proper Shipping Name: Toxic liquid, organic, n.o.s.
    Inhalation Packing Group I: No
    Technical Name: Required

    15 - Regulatory Information

    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    INDICATION OF DANGER: Xn
    Harmful.
    R-PHRASES: 22-37/38-41
    Harmful if swallowed. Irritating to respiratory system and
    skin. Risk of serious damage to eyes.
    S-PHRASES: 26-36/37/39
    In case of contact with eyes, rinse immediately with plenty of
    water and seek medical advice. Wear suitable protective
    clothing, gloves, and eye/face protection.

    16 - Other Information

    WARRANTY
    The above information is believed to be correct but does not
    purport to be all inclusive and shall be used only as a guide. The
    information in this document is based on the present state of our
    knowledge and is applicable to the product with regard to
    appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Inc.,
    shall not be held liable for any damage resulting from handling or
    from contact with the above product. See reverse side of invoice
    or packing slip for additional terms and conditions of sale.
    ALDRICH        www.molbase.com    
    Copyright 2010 Co. License granted to make
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.
    ALDRICH        www.molbase.com    


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↓

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:无

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:103

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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