3-Fluoro-4-Nitrobenzoic Acid 3-氟-4-硝基苯甲酸

CAS 403-21-4 MFCD01862092

化学结构图

403-21-4
SMILES: O=C(O)c1ccc([N+](=O)[O-])c(F)c1

化学属性

Mol. FormulaC7H4FNO4
Mol. Weight185.11
Melting Point174-175°C
TSCANo
Density1.568
Boiling Point372.8°C at 760 mmHg

别名和识别编码

Chemical Name3-Fluoro-4-Nitrobenzoic Acid
CAS Number403-21-4
Alfabeta NameFLUORONITROBENZOICACID 34---
MDL NumberMFCD01862092
Synonym 3-Fluoro-4-nitrobenzenecarboxylic acid {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {} {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {} {} {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {} {} {} {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {} {} {} {} {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {} {} {} {} {} {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-nitrobenzenecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-nitrobenzenecarboxyli
EC NumberNone
Reaxys-RN3279367
Beilstein Registry Number9(3)1762
PubChem Substance ID230653
Chemical Name Translation3-氟-4-硝基苯甲酸
LabNetwork Molecule IDLN00009427
InChIInChI=1S/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
Canonical SMILESO=C(O)C1=CC=C([N+]([O-])=O)C(F)=C1
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分类

  • {SNA} Aryl Fluorinated Building Blocks, Building Blocks, C7, Chemical Synthesis, Fluorinated Building Blocks, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
  • {KO} Nitros
  • {KO} CarboxylicAcids

相关文献及参考

  • Beilstein:9(3)1762

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；
  • 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 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
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+P350
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501a
Hazard Codes Xi Xn
GHS Symbol
WGK Germany3
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 5
Y
H-bond Acceptors
4
Rotatable Bonds
1
H-bond Donors
1
LogP
1

其他信息

  • Hazard Note:Irritant
  • TCI Shanghai:3-氟-4-硝基苯甲酸 3-Fluoro-4-nitrobenzoic Acid,>;98.0%(GC)(T)(403-21-4)
  • 3-氟-4-硝基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0670 3-氟-4-硝基苯甲酸 3-Fluoro-4-nitrobenzoic Acid 5G 1750元
  • MOL 文件:403-21-4.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  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

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