5-Fluoronicotinic Acid 5-氟烟酸

CAS 402-66-4 MFCD01318537

化学结构图

402-66-4
SMILES: O=C(O)c1cncc(F)c1

化学属性

Mol. FormulaC6H4FNO2
Mol. Weight141.10
Density1.422
Melting Point193-198°C
TSCANo
Boiling Point272.2°C at 760 mmHg

别名和识别编码

Chemical Name5-Fluoronicotinic Acid
CAS Number402-66-4
Alfabeta NameFLUORONICOTINICACID 5-
MDL NumberMFCD01318537
Synonym 5-Fluoronicotinic acid {LY} 5-Fluoronicotinic acid {} {LY} 5-Fluoronicotinic acid {} {} {LY} 5-Fluoronicotinic acid {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {} {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {} {} {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Fluoronicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number250-023-7
Beilstein Registry Number22(5)2,173
Reaxys-RN115846
PubChem Substance ID120232
Chemical Name Translation5-氟烟酸
InChIKeyBXZSBDDOYIWMGC-UHFFFAOYSA-N
LabNetwork Molecule IDLN00002885
InChIInChI=1S/C6H4FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
Canonical SMILESC1=C(C=NC=C1C(O)=O)F
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SNA} Building Blocks, C6, Chemical Synthesis, Fluorinated Building Blocks, Halogenated Heterocycles, Heterocyclic Building Blocks, Heterocyclic Fluorinated Building Blocks, Other Fluorinated Heterocycles, Pyridines

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
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；
  • S36/37/39 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；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
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
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。
  • 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
Hazard Codes Xi
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
RTECSUS5745250 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   USXXAM United States Patent Document.  (U.S. Patent Office, Box 9,
   Washington, DC 20231)  Volume(issue)/page/year: #3737542

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

  • 5-氟烟酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0738 5-氟烟酸 5-Fluoronicotinic Acid 5G 1520元 2014/06/02 F0738 5-氟烟酸 5-Fluoronicotinic Acid 1G 453元
  • 下游产品:3-氨基-5-氟吡啶
  • MOL 文件:402-66-4.mol
  • 检测方法:HPLC,NMR,MS
  • Hazard Note:Irritant
  • 上游原料:乙醇 --> 氢氧化钠 --> 盐酸 --> 乙醚 --> 亚硝酸钠 --> 氨 --> 正己烷 --> 高锰酸钾 --> 氟硼酸 --> 硫酸铜五水合物 --> 九水硫化钠 --> 3-氨基-5-甲基吡啶 --> 亚硝酸异戊酯 --> 5-溴烟酸

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  1. C6 - Pyridines

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