3-Bromo-4-Fluoronitrobenzene 3-溴-4-氟硝基苯

CAS 701-45-1 MFCD00055433

化学结构图

701-45-1
SMILES: O=[N+]([O-])c1ccc(F)c(Br)c1

化学属性

Mol. FormulaC6H3BrFNO2
Mol. Weight220.00
Melting Point55°C
Boiling Point250.6°C at 760 mmHg

别名和识别编码

Chemical Name3-Bromo-4-Fluoronitrobenzene
CAS Number701-45-1
Alfabeta NameBROMOFLUORONITROBENZENE 34---
MDL NumberMFCD00055433
Reaxys-RN2089367
Beilstein Registry Number2089367
PubChem Substance ID69699
EC Number211-855-6
Synonym 2-Bromo-1-fluoro-4-nitrobenzene {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {} {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {} {} {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-fluoro-4-nitrobenzene {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3-溴-4-氟硝基苯
InChIKeyFAWMTDSAMOCUAR-UHFFFAOYSA-N
LabNetwork Molecule IDLN00118810
InChIInChI=1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
Canonical SMILESFC1=CC=C([N+]([O-])=O)C=C1Br
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分类

  • {KO} Nitros
  • Building Blocks, Chemical Synthesis, New Products for Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks

安全信息

Warnings IRRITANT
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H302 Harmful if swallowed 吞食有害
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P305+P351+P338
GHS Symbol
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes Xi,Xn
WGK Germany3

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
0
H-bond Donors
0
LogP
2

其他信息

  • MOL 文件:701-45-1.mol
  • Hazard Note:Irritant
  • TCI Shanghai:2-溴-1-氟-4-硝基苯 2-Bromo-1-fluoro-4-nitrobenzene,>;95.0%(GC)(701-45-1)
  • 3-溴-4-氟硝基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B2958 2-溴-1-氟-4-硝基苯 2-Bromo-1-fluoro-4-nitrobenzene 5G 751元 2014/06/02 B2958 2-溴-1-氟-4-硝基苯 2-Bromo-1-fluoro-4-nitrobenzene 25G 2270元

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Nitro Compounds 硝基化合物
  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

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