4,5-Dimethoxy-2-nitrobenzoic acid 4,5-二甲氧基-2-硝基苯甲酸

CAS 4998-07-6 MFCD00014697

化学结构图

4998-07-6
SMILES: COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC

化学属性

Mol. FormulaC9H9NO6
Mol. Weight227.17
Melting Point195-197°C
TSCANo
Appearance 黄色针状结晶,含0.5mol结晶水,熔点195-197℃(189-191℃)。
Boiling Point409.5°C at 760 mmHg

别名和识别编码

Chemical Name4,5-Dimethoxy-2-nitrobenzoic acid
MDL NumberMFCD00014697
PubChem Substance ID78690
CAS Number4998-07-6
EC Number225-657-2
Synonym 6-Nitroveratric acid {LY} 6-Nitroveratric acid {} {LY} 6-Nitroveratric acid {} {} {LY} 6-Nitroveratric acid {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {} {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {} {} {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroveratric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number10,402
Chemical Name Translation4,5-二甲氧基-2-硝基苯甲酸
Reaxys-RN2123903
InChIKeyWWCMFGBGMJAJRX-UHFFFAOYSA-N
LabNetwork Molecule IDLN00226917
Canonical SMILESO=C(O)C1=CC(OC)=C(OC)C=C1[N+]([O-])=O
InChIInChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)
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分类

  • Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beil. 10 ,402
  • FT-IR 2 (2), 2716:A / FT-NMR 1 (2), 1150:C / RegBook 1 (2), 1821:M / Structure Index 1 , 291:D:8

安全信息

WGK Germany3
GHS Symbol
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
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • 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 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
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • 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
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

  • 用途二:医药中间体,主要用于哌唑嗪盐酸盐的中间体。
  • TCI Shanghai:4,5-二甲氧基-2-硝基苯甲酸 4,5-Dimethoxy-2-nitrobenzoic Acid,>;98.0%(T)(4998-07-6)
  • Sigma Aldrich:4998-07-6(sigmaaldrich)
  • 图谱信息:6-硝基藜芦酸(4998-07-6)红外图谱(IR1) 6-硝基藜芦酸(4998-07-6)质谱(MS) 6-硝基藜芦酸(4998-07-6)红外图谱(IR2)
  • Acros Organics:4,5-Dimethoxy-2-nitrobenzoic acid, 98%(4998-07-6)
  • 用途一:用作医药中间体
  • 6-硝基藜芦酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D2628 4,5-二甲氧基-2-硝基苯甲酸 4,5-Dimethoxy-2-nitrobenzoic Acid 5G 396元 2014/06/02 D2628 4,5-二甲氧基-2-硝基苯甲酸 4,5-Dimethoxy-2-nitrobenzoic Acid 25G 1220元 2010/06/21 334690050 6-硝基藜芦酸 4,5-Dimethoxy-2-nitrobenzoic acid 98% 5 GR 320元
  • MOL 文件:4998-07-6.mol
  • Alfa Aesar:4,5-二甲氧基-2-硝基苯甲酸,98% 4,5-Dimethoxy-2-nitrobenzoic acid, 98%(4998-07-6)

系列性分类


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