63762-79-8

• 常用中文名：2-氟-5-甲基苯酚
• 常用英文名：2-Fluoro-5-methylphenol
• CAS号：63762-79-8
• 分子式：C₇H₇FO
• 分子量：126.128
• 相关类别： 化学试剂 有机试剂 酚类
• 发布时间：2018-03-21 08:00:00
• 更新时间：2024-01-02 11:59:02
• 下载msds

名称

• 中文名: 2-氟-5-甲基苯酚
• 英文名: 2-Fluoro-5-methylphenol
• 中文别名: 2-氟-5-甲酚; 6-氟间甲酚
• 英文别名: 2-fluoro-5-methylphenole; QR BF E1; phenol,2-fluoro-5-methyl; 6-Fluoro-m-cresol; 6-fluoro-3-methylphenol; 2-Fluoro-5-methylphenol; 2-fluoro-5-methyl-phenol; Phenol, 2-fluoro-5-methyl-; MFCD00190101; 4-Fluoro-3-hydroxytoluene

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 175.0±20.0 °C at 760 mmHg
• 熔点: 32 °C
• 分子式: C₇H₇FO
• 分子量: 126.128
• 闪点: 68.1±10.5 °C
• 精确质量: 126.048096
• PSA: 20.23000
• LogP: 2.17
• 外观性状: 无色至黄色液体
• 蒸汽压: 0.9±0.3 mmHg at 25°C
• 折射率: 1.520
• 储存条件:

  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。

• 稳定性:

  远离氧化物。

• 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^-24cm³）：13.06

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:9

  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：类似酚的无色液体。

  2. 密度（g/mL,25/4℃）：1.155

  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）：172-174

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：1.511

  8. 闪点（ºC）：67

  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：不能溶于水。

MSDS

Name: 2-Fluoro-5-methylphenol 98% Material Safety Data Sheet Synonym: None Known CAS: 63762-79-8 Section 1 - Chemical Product MSDS Name:2-Fluoro-5-methylphenol 98% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 63762-79-8 2-Fluoro-5-methylphenol 98% unlisted Hazard Symbols: XN Risk Phrases: 21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Combustible liquid and vapor. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid ingestion and inhalation. Wash clothing before reuse. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Use only with adequate ventilation. Keep away from heat and flame. Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 63762-79-8: Personal Protective Equipment Eyes: Wear chemical splash goggles. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 173 deg C @760mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 67 deg C ( 152.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.155 Molecular Formula: C7H7FO Molecular Weight: 126.13 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, ignition sources, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents, strong acids, strong bases. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 63762-79-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Fluoro-5-methylphenol - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 21/22 Harmful in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 63762-79-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 63762-79-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 63762-79-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: 2922
• WGK德国: 3
• 海关编码: 2908199090

合成路线

108-39-4 ~44% 452-70-0 63762-79-8

文献：Journal of the American Chemical Society, , vol. 109, # 23 p. 7194 - 7196

700-38-9 ~% 63762-79-8

文献：Journal of Medicinal Chemistry, , vol. 22, # 1 p. 63 - 69

38512-82-2 ~% 63762-79-8

文献：Journal of Medicinal Chemistry, , vol. 22, # 1 p. 63 - 69

63762-78-7 ~% 63762-79-8

文献：Journal of Medicinal Chemistry, , vol. 22, # 1 p. 63 - 69

452-84-6 ~% 63762-79-8

文献：Journal of Medicinal Chemistry, , vol. 33, # 9 p. 2408 - 2412

39538-68-6 ~% 63762-79-8

文献：Journal of Medicinal Chemistry, , vol. 22, # 1 p. 63 - 69

上下游产品

上游产品  6
108-39-4 700-38-9 38512-82-2 63762-78-7
452-84-6 39538-68-6
下游产品  9
82846-18-2 63762-78-7 1007455-21-1 320351-01-7
128495-45-4 128495-46-5 550400-07-2 63762-80-1
63762-81-2

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%