3-氟-5-甲氧基苯酚 (HCID 52180821)

名称与标识

首选名称: 3-Fluoro-5-methoxyphenol
IUPAC: 3-fluoro-5-methoxyphenol
中文名: 3-氟-5-甲氧基苯酚
英文名: 3-FLUORO-5-METHOXY-PHENOL
分子式: C7H7FO2
分子量: 142.13

名称与别名

3-Fluoro-5-methoxyphenol850793-25-8DTXSID30680258RefChem:279481DTXCID70631007810-108-73-Fluoro-5-methoxy-phenolMFCD118487823 -fluoro-5-methoxyphenolSCHEMBL522123CL8490AKOS015920145

展开更多名称

3-氟-5-甲氧基苯酚Phenol, 3-fluoro-5-methoxy-

CS-W004009MB10146DS-15816SY1022433-FLUORO-5-HYDROXYANISOLEFT-07226963-Fluoro-5-methoxyphenolESCHEMBL522122

数据库标识

CAS: 850793-25-8
PubChem CID: 52180821
DTXSID: DTXSID30680258
EC Number: 810-108-7

性质

结构计算性质

XLogP: 1.8
极性表面积: 29.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 108

物理化学性质

沸点: 222 · 222.0±20.0 °C(Predicted)
密度: 1.224 · 1.224±0.06 g/cm3(Predicted)
储存条件: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸度系数(pKa): 8.59 · 8.59±0.10(Predicted)
外观: White to off-white Solid

安全与法规

GHS分类

GHS Classification · 5 条

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (66.7%)；Eye Irrit. 2 (33.3%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)

安全数据

海关编码: 2909500090

化学与工业

制备方法 · 1 条

生产方法实施例50: 3-{5-[(6-氨基-1H-吡唑并[3,4-b]吡啶-3-基)甲氧基]-2-氯-3-氟苯氧基}-5-氯苄腈的合成; 步骤1: 3-氟-5-甲氧基苯酚(50-1)的制备; 在氮气保护下，将1-氟-3,5-二甲氧基苯(25 g, 160 mmol)溶于二氯甲烷(200 mL, 0.8 M)中，随后冷却至-15℃。缓慢加入三溴化硼(176 mL, 176 mmol, 1 M的二氯甲烷溶液)。反应混合物在-15℃下搅拌1.5小时，随后在室温下搅拌10分钟。将反应混合物再次冷却至0℃，缓慢加入水(150 mL)淬灭反应。用水层用二氯甲烷(3×100 mL)萃取。合并有机层，用硫酸钠干燥，浓缩。通过硅胶柱色谱法(1%-30%乙酸乙酯/己烷)纯化，得到单脱甲基化产物3-氟-5-甲氧基苯酚(50-1)(15 g, 67%收率)。参考文献：[1] Journal of Medicinal Chemistry, 2009, vol. 52, # 22, p. 7163 - 7169[2] Patent: US2007/21442, 2007, A1. Location in patent: Page/Page column 57-58[3] Patent: WO2007/34325, 2007, A1. Location in patent: Page/Page column 48[4] Patent: WO2005/37763, 2005, A1. Location in patent: Page/Page column 94-95[5] Patent: US2015/191473, 2015, A1. Location in patent: Paragraph 0173

上下游产品信息

上游原料

氮 3,5-二甲氧基苯胺硫酸钠三溴化硼亚硝酸钠氟硼酸乙醚乙酸乙酯二氯甲烷石油醚

试剂价格

XW0285079325802 · 5G: 3-氟-5-甲氧基苯酚 — 230元
XW0285079325801 · 1G: 3-氟-5-甲氧基苯酚 — 56元

供应商50 家

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

上海策嵘生物科技有限公司[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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3-氟-5-甲氧基苯酚

基本信息