2,3,4,5-tetrafluorobenzoic acid 2,3,4,5-tetrafluorobenzoic acid

CAS 1201-31-6 MFCD00009613

化学结构图

1201-31-6
SMILES: O=C(O)c1cc(F)c(F)c(F)c1F

化学属性

Mol. FormulaC7H2F4O2
Mol. Weight194.08
Melting Point85-87 °C
Density1.422
TSCANo
Boiling Point135-137 °C at 23 mmHg

别名和识别编码

Chemical Name2,3,4,5-tetrafluorobenzoic acid
CAS Number1201-31-6
Alfabeta NameTETRAFLUOROBENZOICACID 2345-,,,
MDL NumberMFCD00009613
Beilstein Registry Number2052670
PubChem Substance ID87577161
EC Number000-000-0
Reaxys-RN2052670
Synonym 2,3,4,5-Tetrafluorobenzoic acid {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {} {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {} {} {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {} {} {} {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {} {} {} {} {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {} {} {} {} {} {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {} {} {} {} {} {} {} {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5-Tetrafluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5-Tetrafluorobenzoic acid
Chemical Name Translation2,3,4,5-tetrafluorobenzoic acid
LabNetwork Molecule IDLN00116544
Canonical SMILESO=C(O)C1=CC(F)=C(F)C(F)=C1F
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分类

  • Aryl Fluorinated Building Blocks, Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
  • {SNA} Aryl Fluorinated Building Blocks, Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks

相关文献及参考

  • FT-NMR 1 (2), 1155:B / RegBook 1 (2), 1823:M / Structure Index 1 , 292:B:4

安全信息

Warnings IRRITANT
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S37 Wear suitable gloves 戴适当手套;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 药物中间体:1201-31-6(2,3,4,5-四氟苯甲酸)是制备喹喏酮类广谱抗菌素药物中间体,左旋氧氟沙星和氧氟沙星的原料。
  • Alfa Aesar:2,3,4,5-四氟苯甲酸,98+% 2,3,4,5-Tetrafluorobenzoic acid, 98+%(1201-31-6)
  • 外观:白色或类白色结晶粉末。
  • Sigma Aldrich:1201-31-6(sigmaaldrich)
  • MOL 文件:1201-31-6.mol
  • 检测方法:T,NMR
  • 用途一:是制备含氟喹诺酮类抗菌药物如氧氟沙星等的重要中间体,还可用于农药、液晶制备等
  • 2,3,4,5-四氟苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1395 2,3,4,5-四氟苯甲酸 2,3,4,5-Tetrafluorobenzoic Acid 5G 520元 2014/06/02 T1395 2,3,4,5-四氟苯甲酸 2,3,4,5-Tetrafluorobenzoic Acid 25G 1540元 2010/05/25 A18954 2,3,4,5-四氟苯甲酸, 98+% 2,3,4,5-Tetrafluorobenzoic acid, 98+% 25g 1638元
  • 方法一:1.邻苯二甲酸酐法。2. 3,4,5,6-四氟邻苯二甲酸法将一定量的3,4,5,6-四氟邻苯二甲酸和H2O在190℃下搅拌5h,反应液经过滤、洗涤、干燥得一部分产品,再用乙醚萃取滤液中的产品,最终产品收率为94.5%。
  • 用途二:本品是医药中间体,用于合成第三代喹诺酮类抗菌药洛美沙星。还可用于农药、液晶制备等。
  • 下游产品:如氟沙星 --> 司帕沙星 --> 左氧氟沙星 --> 菲宁达 --> 2,3,4,5-四氟苯甲酸
  • TCI Shanghai:2,3,4,5-四氟苯甲酸 2,3,4,5-Tetrafluorobenzoic Acid,>;98.0%(T)(1201-31-6)
  • 上游原料:苯酐 --> 3,4,5,6-四氟邻苯二甲酸
  • 图谱信息:2,3,4,5-四氟苯甲酸(1201-31-6)核磁图( 13 CNMR) 2,3,4,5-四氟苯甲酸(1201-31-6)红外图谱(IR1) 2,3,4,5-四氟苯甲酸(1201-31-6)核磁图( 1 HNMR) 2,3,4,5-四氟苯甲酸(1201-31-6)质谱(MS)
  • Hazard Note:Irritant

系列性分类


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