CAS: 825-22-9; 2-Amino-3-Fluorobenzoic Acid

• 英文名称2-Amino-3-Fluorobenzoic Acid
• 中文名称3-氟邻氨基苯甲酸
• IUPAC名称2-amino-3-fluorobenzoic acid
• 其它别名2-氨基-3-氟苯甲酸; 3-Fluoroanthranilic Acid
• CAS编号825-22-9
• MFCD编号:MFCD01569395
• EINECS号:630-115-7
• 分子式:C7H6FNO2
• 分子量:155.13
• 产品CID: 1815862
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: KUHAYJJXXGBYBW-UHFFFAOYSA-N
• InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数1.0

物理性质

• 熔点171-172°C
• 沸点294.4°C at 760 mmHg
• 闪点131.8±23.2 °C
• 密度1.4±0.1 g/cm3
• pKa:4.60±0.10(预测)
• PSA:63.32
• LogP:1.1061
• 折射率1.606
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Soluble In Methanol
• 外观形态白色至淡黄色至浅橙色粉末至晶体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用该化合物用作制药中间体.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT
• 危险品标志Xi,Xn
• 安全声明26-36/37/39-24/25
• 危险类别码36/37/38-22

欧盟法规

上下游产品

合成工艺路线路线简述

• 174463-53-7 = 825-22-9
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water; 20 Min,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synthesis Of Insecticidal Fluorinated Anthranilic Diamides
  作者:Clark,David A.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2008 卷标:16(6) 页码:3163-3170]
  
  349-24-6 = 825-22-9
  反应条件:1.1 Reagents: Sulfuric Acid; 3 H,65 °C2.1 Reagents: Acetic Acid,Hydrogen Peroxide Catalysts: Sulfuric Acid; 20 Min,75 - 100 °C3.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water; 20 Min,Rt3.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synthesis Of Insecticidal Fluorinated Anthranilic Diamides
  作者:Clark,David A.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2008 卷标:16(6) 页码:3163-3170]
  
  515-83-3 = 825-22-9
  反应条件:1.1 Reagents: Hydroxyamine Hydrochloride,Sodium Sulfate Solvents: Water; Rt -> 40 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 1 - 2 Min,40 °C -> Reflux; Reflux -> Rt; 60 H,Rt2.1 Reagents: Sulfuric Acid Solvents: Water; Rt -> 70 °C2.2 1 H,70 °C; 70 °C -> 90 °C; 60 Min,90 °C; 90 °C -> 20 °C3.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water; 40 Min,Rt; Rt -> 40 °C; 1.5 H,40 °C3.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 7.5
  标题:2-Amino-3-Fluorobenzoic Acid
  作者:Kollmar,Martin; Et Al
  参考文献:Organic Syntheses 日期:2003 卷标:79 页码:196-203]
  
  515-83-3 = 825-22-9
  反应条件:1.1 Catalysts: Hydroxyamine Hydrochloride2.1 Catalysts: Sulfuric Acid3.1 Catalysts: Sodium Hydroxide,Hydrogen Peroxide
  标题:2-Fluoroaniline
  作者:Chung,John Y. L.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]
  
  302-17-0 = 825-22-9
  反应条件:1.1 Reagents: Hydroxyamine Hydrochloride,Hydrochloric Acid,Sodium Sulfate Solvents: Water; 3 H,75 °C2.1 Reagents: Sulfuric Acid; 3 H,65 °C3.1 Reagents: Acetic Acid,Hydrogen Peroxide Catalysts: Sulfuric Acid; 20 Min,75 - 100 °C4.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water; 20 Min,Rt4.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synthesis Of Insecticidal Fluorinated Anthranilic Diamides
  作者:Clark,David A.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2008 卷标:16(6) 页码:3163-3170]
  
  = 825-22-9 + 1009-67-2
  反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Water; 24 H,80 °C
  标题:Weak,Bidentate Chelating Group Assisted Cross-Coupling Of C(Sp3)-H Bonds In Aliphatic Acid Derivatives With Aryltrifluoroborates
  作者:Cai,Zhihua; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(90) 页码:12766-12769]
  
  192863-35-7 = 825-22-9 + 22138-73-4
  反应条件:1.1 Reagents: Silver Carbonate,Potassium Carbonate Catalysts: Quinone,Palladium Diacetate,N-[(1S)-1-[(4S)-4,5-Dihydro-4-(Phenylmethyl)-2-Oxazolyl]-2,2-Dimethylpropyl]Acet... Solvents: 2-Methyl-2-Butanol; 24 H,100 °C2.1 Reagents: Hydrogen Bromide Solvents: Water; 24 H,80 °C
  标题:Weak,Bidentate Chelating Group Assisted Cross-Coupling Of C(Sp3)-H Bonds In Aliphatic Acid Derivatives With Aryltrifluoroborates
  作者:Cai,Zhihua; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(90) 页码:12766-12769]
  
  438553-44-7 = 825-22-9 + 46207-82-3
  反应条件:1.1 Reagents: Silver Carbonate,Potassium Carbonate Catalysts: Quinone,Palladium Diacetate,N-[(1S)-1-[(4S)-4,5-Dihydro-4-(Phenylmethyl)-2-Oxazolyl]-2,2-Dimethylpropyl]Acet... Solvents: 2-Methyl-2-Butanol; 24 H,100 °C2.1 Reagents: Hydrogen Bromide Solvents: Water; 24 H,80 °C
  标题:Weak,Bidentate Chelating Group Assisted Cross-Coupling Of C(Sp3)-H Bonds In Aliphatic Acid Derivatives With Aryltrifluoroborates
  作者:Cai,Zhihua; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(90) 页码:12766-12769]
  
  661465-44-7 = 825-22-9 + 1012-17-5
  反应条件:1.1 Reagents: Silver Carbonate,Potassium Carbonate Catalysts: Quinone,Palladium Diacetate,N-[(1S)-1-[(4S)-4,5-Dihydro-4-(Phenylmethyl)-2-Oxazolyl]-2,2-Dimethylpropyl]Acet... Solvents: 2-Methyl-2-Butanol; 24 H,100 °C2.1 Reagents: Hydrogen Bromide Solvents: Water; 24 H,80 °C
  标题:Weak,Bidentate Chelating Group Assisted Cross-Coupling Of C(Sp3)-H Bonds In Aliphatic Acid Derivatives With Aryltrifluoroborates
  作者:Cai,Zhihua; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(90) 页码:12766-12769]
  
  317-20-4 = 825-22-9
  反应条件:1.1 Catalysts: Sodium Hydroxide,Hydrogen Peroxide
  标题:2-Fluoroaniline
  作者:Chung,John Y. L.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2006 卷标:1 页码:1-3]
  
  317-20-4 = 825-22-9
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water; 40 Min,Rt; Rt -> 40 °C; 1.5 H,40 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 7.5
  标题:2-Amino-3-Fluorobenzoic Acid
  作者:Kollmar,Martin; Et Al
  参考文献:Organic Syntheses 日期:2003 卷标:79 页码:196-203]
  
  349-24-6 = 825-22-9
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; Rt -> 70 °C1.2 1 H,70 °C; 70 °C -> 90 °C; 60 Min,90 °C; 90 °C -> 20 °C2.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water; 40 Min,Rt; Rt -> 40 °C; 1.5 H,40 °C2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 7.5
  标题:2-Amino-3-Fluorobenzoic Acid
  作者:Kollmar,Martin; Et Al
  参考文献:Organic Syntheses 日期:2003 卷标:79 页码:196-203]
  
  349-24-6 = 825-22-9 [标题:Reaction Conditions
  标题:Halogenated 3-Quinolinecarboxylic Acid Derivatives,Intermediates And Their Use In Analgesic And Antiinflammatory Compositions
  参考文献:France]
  
  953070-85-4 = 825-22-9
  反应条件:1.1 Catalysts: Sulfuric Acid2.1 Catalysts: Sodium Hydroxide,Hydrogen Peroxide
  标题:2-Fluoroaniline
  作者:Chung,John Y. L.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2006 卷标:1 页码:1-3]
  
  953070-85-4 = 825-22-9
  反应条件:1.1 Catalysts: Sulfuric Acid2.1 Catalysts: Sodium Hydroxide,Hydrogen Peroxide
  标题:2-Fluoroaniline
  作者:Chung,John Y. L.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]
  
  515-83-3 = 825-22-9
  反应条件:1.1 Catalysts: Hydroxyamine Hydrochloride2.1 Catalysts: Sulfuric Acid3.1 Catalysts: Sodium Hydroxide,Hydrogen Peroxide
  标题:2-Fluoroaniline
  作者:Chung,John Y. L.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2006 卷标:1 页码:1-3]
  
  = 825-22-9 [标题:Reaction Conditions
  标题:Halogenated 3-Quinolinecarboxylic Acid Derivatives,Intermediates And Their Use In Analgesic And Antiinflammatory Compositions
  参考文献:France]
  
  = 825-22-9 + 1012-17-5
  反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Water; 24 H,80 °C
  标题:Weak,Bidentate Chelating Group Assisted Cross-Coupling Of C(Sp3)-H Bonds In Aliphatic Acid Derivatives With Aryltrifluoroborates
  作者:Cai,Zhihua; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(90) 页码:12766-12769]
  
  = 825-22-9 + 22138-73-4
  反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Water; 24 H,80 °C
  标题:Weak,Bidentate Chelating Group Assisted Cross-Coupling Of C(Sp3)-H Bonds In Aliphatic Acid Derivatives With Aryltrifluoroborates
  作者:Cai,Zhihua; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(90) 页码:12766-12769]
  
  = 825-22-9 + 46207-82-3
  反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Water; 24 H,80 °C
  标题:Weak,Bidentate Chelating Group Assisted Cross-Coupling Of C(Sp3)-H Bonds In Aliphatic Acid Derivatives With Aryltrifluoroborates
  作者:Cai,Zhihua; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(90) 页码:12766-12769]
  
  83684-74-6 + 83684-76-8 = 825-22-9 + 434-76-4
  反应条件:1.1 Reagents: Sodium Hydroxide,Sodium Hypochlorite Solvents: Water
  标题:An Improved Procedure For The Synthesis Of 3-Fluoroanthranilic Acid
  作者:Milner,David J.
  参考文献:Synthetic Communications 日期:1985 卷标:15(6) 页码:485-9]
  
  38385-67-0 = 825-22-9 + 1009-67-2
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 0 °C; 2 - 3 H,Rt2.1 Reagents: Hydrogen Bromide Solvents: Water; 24 H,80 °C
  标题:Weak,Bidentate Chelating Group Assisted Cross-Coupling Of C(Sp3)-H Bonds In Aliphatic Acid Derivatives With Aryltrifluoroborates
  作者:Cai,Zhihua; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(90) 页码:12766-12769]
  
  153766-81-5 = 825-22-9 + 1009-67-2
  反应条件:1.1 Reagents: Silver Carbonate,Potassium Carbonate Catalysts: Quinone,Palladium Diacetate,N-[(1S)-1-[(4S)-4,5-Dihydro-4-(Phenylmethyl)-2-Oxazolyl]-2,2-Dimethylpropyl]Acet... Solvents: 2-Methyl-2-Butanol; 24 H,100 °C2.1 Reagents: Hydrogen Bromide Solvents: Water; 24 H,80 °C
  标题:Weak,Bidentate Chelating Group Assisted Cross-Coupling Of C(Sp3)-H Bonds In Aliphatic Acid Derivatives With Aryltrifluoroborates
  作者:Cai,Zhihua; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(90) 页码:12766-12769

海关参考信息

• 2905110000-甲醇
  2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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