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-nitrobenzenecarboxylic acid {} {} {} {} {} {} {
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


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