4-异丙基吡啶

4-异丙基吡啶 基本信息
CAS号 696-30-0 分子式 C8H11N
分子量 121.18000 精确质量 　121.08900
PSA 　12.89000 LogP 　2.20500
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目录
基本信息 物化性质 安全信息 合成路线 化学图谱 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：
696-30-0
3D弹球模型：
立即前往扯扯看
分子式：
C8H11N
分子量：
121.18000
中文名称：
4-异丙基吡啶
英文名称：
4-Isopropylpyridine
中文别名：
4-异丙基吡啶;
(1-methylethyl)cyclohexane;
(1-methylethyl)-Cyclohexane;
Cyclohexane, isopropyl-;
hydrocumene;
Normanthane;
HEXAHYDROCUMENE;
propan-2-ylcyclohexane;
Isopropylcyclohexane;
2-Chlorocyclopentanone;
2MZ-H;
2MZ-PW;
Actiron 2MI;
Curezol 2MZ-P;
Imidazole, 2-methyl-;
p-Oxal-methyline;
RESICURE(TM) 46;
AKOS BBS-00004447;
2-Methylglyoxaline;
Epicure MI 2;
Epikure MI 2;
IMicure AMI 2;
NSC 21394;
2-Methylimidazole;
Benzenamine, 2-methyl-, hydrochloride (1:1);
o-Toluidine, hydrochloride;
RCRA waste no. U222;
2-methylaniline hydrochloride (1:1);
o-Tolidine hydroch;
N-Acetyl Cysteine;
N-acetylcysteine;
(2R)-2-(acetylamino)-3-sulfanylpropanoate;
N-Acetyl-cysteine;
N-Acetyl-L-cysteine
英文别名：
4-Isopropylpyridine;
4-propan-2-ylpyridine
精确分子量/精确质量：
121.08900
极性分子表面积/PSA：
12.89000
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：
MFCD00039719
EINECS：
211-794-5
InChI：
InChI=1/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3

物化性质展开↓

密度：
0,93 g/cm3
沸点：
178 °C
闪点：
66°C
折射率：
1.492
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。远离火源。

稳定性相关：

远离氧化物，火源。

其它信息：

1.       性状：无色透明液体。

2.       密度（g/mL,25/4℃）：0.93

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：未确定

5.       沸点（ºC,常压）：178

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：未确定

8.       闪点（ºC）：66

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：
2933399090
危险类别码：
20/21/22-36/37/38
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

  • 455258-20-5

    1,2-epoxy-3-hexadecyloxy-2-(methoxymethyl)propane

  • →

    ~77%

  • 696-30-0

    4-异丙基吡啶

  • 536-75-4

    4-乙基吡啶

  • →

    ~16%

  • 110-86-1

    吡啶

  • +

  • 108-89-4

    4-甲基吡啶

  • +

  • 17755-30-5

    4-prop-1-en-2-ylpyridine

  • +

  • 696-30-0

    4-异丙基吡啶

  • 110-86-1

    吡啶

  • +

  • 75-30-9

    2-碘代丙烷

  • →

    ~7%

  • 696-30-0

    4-异丙基吡啶

  • +

  • 644-98-4

    2-异丙基吡啶

化学图谱

  1. 4-异丙基吡啶质谱(MS)

  2. 4-异丙基吡啶核磁图(13CNMR)

  3. 4-异丙基吡啶核磁图(1HNMR)

  4. 4-异丙基吡啶红外图谱(IR1)

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毒理性展开↓

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

  4-Isopropylpyridine      Revision number: 5    
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        4-Isopropylpyridine    
    
  Revision number:        5    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 4
  Flammable liquids
  HEALTH HAZARDS
    Category 2
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 2A    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Combustible liquid    
    Causes skin irritation
    Causes serious eye irritation
  Precautionary statements:
    Keep away from flames and hot surfaces.
  [Prevention]
    Wash hands thoroughly after handling.
    Wear protective gloves and eye/face protection.
  [Response]        IF IN EYES: 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.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.
  [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    
  Components:        4-Isopropylpyridine    
  Percent:        >98.0%(GC)(T)    
    696-30-0
  CAS Number:
  Chemical Formula:        C8H11N    
  4-Isopropylpyridine
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. 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.
  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.
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, carbon dioxide.    
  media:
  Unsuitable extinguishing Water (It may scatter and spread fire.)
  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.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  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
  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
    Keep container tightly closed. Store in a cool, dark and well-ventilated place.
  Storage conditions:
    Store under inert gas.
    Store away from incompatible materials such as oxidizing agents.
    Air-sensitive
    Comply with laws.
  Packaging material:
  4-Isopropylpyridine
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.
  Hand protection:        Protective gloves.    
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
    Clear
  Form:
  Colour:        Colorless - Very pale yellow    
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        178°C    
  Flash point:        66°C    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        0.93    
  Solubility(ies):
  [Water]        No data available    
    No data available
  [Other solvents]
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
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
    No data available
  NTP =
  Reproductive toxicity:        No data available    
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  4-Isopropylpyridine
Section 12. ECOLOGICAL INFORMATION
  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
    Does not correspond to the classification standard of the United Nations
  Hazards Class:
  UN-No:        Not listed    
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

1、   摩尔折射率：38.52

2、   摩尔体积（m3/mol）：132.7

3、   等张比容（90.2K）：316.4

4、   表面张力（dyne/cm）：32.3

5、   介电常数：

6、   偶极距（10-24cm3）：

7、   极化率：15.27

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:1

5.互变异构体数量:无

6.拓扑分子极性表面积12.9

7.重原子数量:9

8.表面电荷:0

9.复杂度:72.6

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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