3-氟-4-甲基苯酚

3-氟-4-甲基苯酚 基本信息
CAS号 452-78-8 分子式 C7H7FO
分子量 126.12800 精确质量  126.04800
PSA  20.23000 LogP  1.83970

基本信息 展开↓

CAS号:
452-78-8
3D弹球模型:
立即前往扯扯看
分子式:
C7H7FO
分子量:
126.12800
中文名称:
3-氟-4-甲基苯酚
英文名称:
3-Fluoro-4-methylphenol
中文别名:
3-氟-4-甲基苯酚;
2-氟-4-羟基甲苯;
3-氟对甲酚;
3-氟对甲基苯酚
英文别名:
3-Fluoro-4-methylphenol;
3-FLUORO-4-METHYLPHENOL;
3-Fluoro-4-Methylphenol;
3-Fluoro-p-cresol
精确分子量/精确质量:
126.04800
极性分子表面积/PSA:
20.23000
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。
InChI:
InChI=1/C7H7FO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3

生产制备方法及用途展开↓

合成制备方法


暂无

用途


暂无

物化性质展开↓

密度:
1.17
沸点:
196 °C
闪点:
29 °C
折射率:
1.52
蒸汽压:
0.32mmHg at 25°C
存储条件/存储方法:

密封保存,放置于通风、干燥地方,避免于其他氧化物接触。

稳定性相关:

按规格使用和贮存,不会发生分解,避免与氧化物接触

其它信息:

1.       性状:未确定

2.       密度(g/ m3,25/4):1.17

3.       相对蒸汽密度(g/cm3,空气=1):未确定

4.       熔点(ºC未确定

5.       沸点(ºC,常压):9196

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):29

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:
2908199090
危险类别码:
R21/22
安全说明:
S26-S36/37/39
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 452-77-7

    3-氟-4-甲基苯胺

  • ~44%

  • 452-78-8

    3-氟-4-甲基苯酚

  • 405-06-1

    3-氟-4-甲基苯甲醚

  • 331746-01-1

    3-fluoro-4-methylphenyl carbonochloridate

  • +

  • 452-78-8

    3-氟-4-甲基苯酚

  • 1427-07-2

    2-氟-4-硝基甲苯

  • 452-78-8

    3-氟-4-甲基苯酚

毒理性展开↓

毒理学数据:

未确定

生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

  3-Fluoro-p-cresol      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        3-Fluoro-p-cresol    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Acute toxicity (Oral)        Category 4    
    Category 4
  Acute toxicity (Dermal)
  Acute toxicity (Inhalation)        Category 4    
    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    
    Harmful if swallowed, in contact with skin or if inhaled
  Hazard statements
    Causes skin irritation
    Causes serious eye irritation
  Precautionary statements:
    Avoid breathing dust/fume/gas/mist/vapours/spray.
  [Prevention]
    Use only outdoors or in a well-ventilated area.
    Do not eat, drink or smoke when using this product.
    Wash hands thoroughly after handling.
    Wear protective gloves and eye/face protection.
  [Response]        IF INHALED: 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.
    IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
    Rinse mouth.
    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.
    Wash contaminated clothing before reuse.
    Call a POISON CENTER or doctor/physician if you feel unwell.
  3-Fluoro-p-cresol

Section 2. HAZARDS IDENTIFICATION
  [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:        3-Fluoro-p-cresol    
    >98.0%(GC)
  Percent:
  CAS Number:        452-78-8    
    3-Fluoro-4-methylphenol
  Synonyms:
  Chemical Formula:        C7H7FO    

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.

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  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
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  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 and dark place.    
    Store under inert gas.
    Store away from incompatible materials such as oxidizing agents.
    Air-sensitive
  3-Fluoro-p-cresol

Section 7. HANDLING AND STORAGE
  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: Dust 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
    Solid
  Physical state (20°C):
  Form:        Crystal- Lump    
  Colour:        White - Pale reddish yellow    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:29°C (Freezing point)
  Boiling point/range:        196°C    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Relative density:        1.17    
  Solubility(ies):
  [Water]        No data available    
  [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:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride
  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    
  NTP =        No data available    
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  3-Fluoro-p-cresol

Section 12. ECOLOGICAL INFORMATION
  Mobility in soil
    No data available
  Log Pow:
  Soil adsorption (Koc):        No data available    
    No data available
  Henry's Law
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and 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:2908199090

概述:
HS:2908199090 其他酚及酚醇的仅含卤素取代基的衍生物及其盐 增值税率:17.0% 退税率:9.0% 监管条件:无 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:
HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. 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


1   摩尔折射率:32.95

2   摩尔体积m3/mol108.3

3   等张比容(90.2K):267.0

4   表面张力dyne/cm36.9

5   极化率10-24cm313.06

计算化学数据


1.疏水参数计算参考值(XlogP):2

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:0

5.互变异构体数量:3

6.拓扑分子极性表面积20.2

7.重原子数量:9

8.表面电荷:0

9.复杂度:94.9

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

上下游相关产品

上游产品

更多
  • 452-77-7

    3-氟-4-甲基苯胺

  • 405-06-1

    3-氟-4-甲基苯甲醚

  • 1427-07-2

    2-氟-4-硝基甲苯

下游产品

更多
  • 394-42-3

    2-氟-4-甲氧基苯甲酸

  • 405-06-1

    3-氟-4-甲基苯甲醚

  • 83341-28-0

    5-氟-4-甲基-2-硝基苯酚

  • 920525-52-6

    2-fluoro-6-hydroxy-3-methylbenzaldehyde

  • 504414-06-6

    4-氟-2-羟基-5-甲基苯甲醛

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便