452-78-8

• 常用中文名：3-氟-4-甲基苯酚
• 常用英文名：3-Fluoro-4-methylphenol
• CAS号：452-78-8
• 分子式：C₇H₇FO
• 分子量：126.128
• 发布时间：2018-09-15 11:17:27
• 更新时间：2024-01-02 12:12:36
• 下载msds

名称

• 中文名: 3-氟-4-甲基苯酚
• 英文名: 3-Fluoro-4-methylphenol
• 中文别名: 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-p-cresol; QR CF D1; MFCD00143164; 3-Fluoro-4-methylphenol; Phenol, 3-fluoro-4-methyl-

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 194.2±20.0 °C at 760 mmHg
• 分子式: C₇H₇FO
• 分子量: 126.128
• 闪点: 83.6±10.5 °C
• 精确质量: 126.048096
• PSA: 20.23000
• LogP: 2.39
• 蒸汽压: 0.3±0.4 mmHg at 25°C
• 折射率: 1.520
• 储存条件:

  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:

  按规格使用和贮存，不会发生分解，避免与氧化物接触

• 分子结构:

  1、 摩尔折射率：32.95

  2、 摩尔体积（m³/mol）：108.3

  3、 等张比容（90.2K）：267.0

  4、 表面张力（dyne/cm）：36.9

  5、 极化率（10 ^-24cm ³）：13.06

• 计算化学:

  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

• 更多:

  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

MSDS

3-Fluoro-p-cresol Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:3-Fluoro-p-cresol Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot 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 irritationCategory 2A Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning 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 Section2. HAZARDS IDENTIFICATION [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Section3. 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 Section4. 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. Section5. 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: Section6. 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. Section7. 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 Section7. HANDLING AND STORAGE Packaging material:Comply with laws. Section8. 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. Section9. 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 Section10. 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: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. 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 Section12. 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): Section13. 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. Section14. TRANSPORT INFORMATION Does not correspond to the classification standard of the United Nations Hazards Class: UN-No:Not listed Section15. 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

毒性和生态

毒理学数据: 未确定 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R21/22
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: 2922
• 海关编码: 2908199090

合成路线

452-77-7 ~44% 452-78-8

文献：JEIL PHARMACEUTICAL CO., LTD. Patent: WO2007/8037 A1, 2007 ; Location in patent: Page/Page column 34-35 ;

405-06-1 ~0% 331746-01-1 452-78-8

文献：Bristol-Myers Squibb Company Patent: US6414002 B1, 2002 ;

1427-07-2 ~% 452-78-8

文献：Brown et al. Journal of the Chemical Society, 1949 , p. Spl. 113

上下游产品

上游产品  3
452-77-7 405-06-1 1427-07-2
下游产品  5
394-42-3 405-06-1 83341-28-0 920525-52-6
504414-06-6

海关

海关编码	2908199090
中文概述	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
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%