4-Amino-3-fluorobenzoic acid 4-氨基-3-氟苯甲酸

CAS 455-87-8 MFCD01660374

化学结构图

455-87-8
SMILES: Nc1ccc(C(=O)O)cc1F

化学属性

Mol. FormulaC7H6FNO2
Mol. Weight155.13
Melting Point215-218°C
TSCANo
Boiling Point320.8°C at 760 mmHg

别名和识别编码

Chemical Name4-Amino-3-fluorobenzoic acid, 98%
CAS Number455-87-8
Alfabeta NameAMINOFLUOROBENZOICACID 43---
MDL NumberMFCD01660374
Synonym 4-Amino-3-fluorobenzoic acid {LY} 4-Amino-3-fluorobenzoic acid {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {} {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {} {} {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {} {} {} {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-3-fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-3-fluorobenzoic a
EC Number207-250-1
Chemical Name Translation4-氨基-3-氟苯甲酸
Reaxys-RN2717314
Beilstein Registry Number2717314
PubChem Substance ID9971
InChIKeyJSKXHTHMCCDEGD-UHFFFAOYSA-N
Wiswesser Line NotationZR BF DVQ
InChIInChI=1S/C7H6FNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)
LabNetwork Molecule IDLN00008860
Canonical SMILESC1=CC(=C(C=C1C(O)=O)F)N
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分类

  • Amines
  • Aromatics
  • {KO} CarboxylicAcids
  • {KO} Anilines

安全信息

Warnings IRRITANT
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;
  • 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
RTECSDG2525000
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
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。
  • P264+P265
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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
  • P304+P340
  • P305+P351+P338
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P317
  • P337+P317
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Codes Xi
GHS Symbol
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#03056

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
1
H-bond Donors
2
LogP
1

其他信息

  • MOL 文件:455-87-8.mol
  • Hazard Note:Irritant
  • 4-氨基-3-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 A2165 4-氨基-3-氟苯甲酸 4-Amino-3-fluorobenzoic Acid 5G 3050元 2014/06/02 A2165 4-氨基-3-氟苯甲酸 4-Amino-3-fluorobenzoic Acid 1G 1030元

系列性分类


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