3-Methyl-4-nitrobenzoic acid 3-甲基-4-硝基苯甲酸

CAS 3113-71-1 MFCD00007168

化学结构图

3113-71-1
SMILES: Cc1cc(C(=O)O)ccc1[N+](=O)[O-]

化学属性

Mol. FormulaC8H7NO4
Mol. Weight181.15
Melting Point216-218°C
TSCAYes
Solubility<0.1 G/100 ML AT 22 ºC
Density1.392
Appearance 白色或微黄色粉末,熔点216-219℃
Boiling Point356°C at 760 mmHg

别名和识别编码

Chemical Name3-Methyl-4-nitrobenzoic acid
CAS Number3113-71-1
Alfabeta NameMETHYLNITROBENZOICACID 34---
MDL NumberMFCD00007168
Synonym 3-Methyl-4-nitrobenzoic acid {LY} 3-Methyl-4-nitrobenzoic acid {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {} {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-4-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number1959154
EC Number221-479-4
PubChem Substance ID18370
Reaxys-RN1959154
Chemical Name Translation3-甲基-4-硝基苯甲酸
InChIKeyXDTTUTIFWDAMIX-UHFFFAOYSA-N
LabNetwork Molecule IDLN00175290
InChIInChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)
Canonical SMILESO=C(O)C1=CC=C([N+]([O-])=O)C(C)=C1
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分类

  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beilstein:9,481

安全信息

Warnings IRRITANT
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。
  • 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+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+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
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • 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 Wear suitable protective clothing 穿戴适当的防护服;
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Hazard Codes Xi Xi,Xn
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

  • 海关编码:29163900
  • MSDS 信息:3-Methyl-4-nitrobenzoic acid(3113-71-1).msds
  • 3-甲基-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 2011/08/23 XW31137111 3-甲基-4-硝基苯甲酸 25g 158元 2011/04/16 M0565 3-甲基-4-硝基苯甲酸 3-Methyl-4-nitrobenzoic Acid 500G 2040元 2011/04/16 M0565 3-甲基-4-硝基苯甲酸 3-Methyl-4-nitrobenzoic Acid 25G 233元
  • 图谱信息:3-甲基-4-硝基苯甲酸(3113-71-1)质谱(MS) 3-甲基-4-硝基苯甲酸(3113-71-1)红外图谱(IR2) 3-甲基-4-硝基苯甲酸(3113-71-1)红外图谱(IR1)
  • Hazard Note:Irritant
  • Alfa Aesar:3-甲基-4-硝基苯甲酸,99% 3-Methyl-4-nitrobenzoic acid, 99%(3113-71-1)
  • Sigma Aldrich:3113-71-1(sigmaaldrich)
  • 下游产品:4-氯喹唑啉-6-甲酸乙酯 --> 2-正丙基-4-甲基-6-羧基苯并咪唑 --> 4-甲基-2-丙基-1H-苯并咪唑-6-甲酸甲酯 --> 3,4-二氢-4-喹唑啉同-6-甲酸 --> 4-氨基苯基-1,3-二甲酸 --> 4-氨基-3-甲基苯甲酸甲酯 --> 4-硝基苯基-1,3-二甲酸
  • MOL 文件:3113-71-1.mol
  • TCI Shanghai:3-甲基-4-硝基苯甲酸 3-Methyl-4-nitrobenzoic Acid,>;98.0%(LC)(T)(3113-71-1)
  • Acros Organics:3-甲基-4-硝基苯甲酸 3-Methyl-4-nitrobenzoic acid, 99%(3113-71-1)

系列性分类


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