4-Hydroxy-3-nitrobenzaldehyde 3-硝基-4-羟基苯甲醛

CAS 3011-34-5 MFCD00007117

化学结构图

3011-34-5
SMILES: O=Cc1ccc(O)c([N+](=O)[O-])c1

化学属性

Mol. FormulaC7H5NO4
Mol. Weight167.12
Melting Point140-142°C
TSCANo
Density1.422
Appearance 黄色针状结晶。熔点144-145℃。溶于醇，微溶于水。
Boiling Point275°C at 760 mmHg

别名和识别编码

Chemical Name4-Formyl-2-nitrophenol
CAS Number3011-34-5
Alfabeta NameHYDROXYNITROBENZALDEHYDE 43---
MDL NumberMFCD00007117
Synonym 4-Hydroxy-3-nitrobenzaldehyde {LY} 4-Hydroxy-3-nitrobenzaldehyde 4-hydroxy-3-nitrobenzaldehyde {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {} {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-nitrobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-nitr
Beilstein Registry Number2047884
EC Number221-141-6
PubChem Substance ID18169
Reaxys-RN2047884
Chemical Name Translation3-硝基-4-羟基苯甲醛
InChIKeyYTHJCZRFJGXPTL-UHFFFAOYSA-N
LabNetwork Molecule IDLN00115533
InChIInChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H
Canonical SMILESO=CC1=CC=C(O)C([N+]([O-])=O)=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; aldehyde; alcohol; 1fragment
  • {SNA} Aldehydes, Building Blocks, C7, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume:

安全信息

Warnings IRRITANT, AIR SENSITIVE
GHS Symbol
WGK Germany3
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
Hazard Codes Xi

其他信息

  • 用途二:有机合成中间体。
  • 上游原料:对羟基苯甲醛
  • color:light yellow
  • MOL 文件:3011-34-5.mol
  • 敏感性:Air Sensitive
  • Alfa Aesar:4-羟基-3-硝基苯甲醛,97% 4-Hydroxy-3-nitrobenzaldehyde, 98%(3011-34-5)
  • 用途一:用作医药、农药和染料等中间体
  • 方法一:将24g对羟基苯甲醛悬浮于100ml冰醋酸中，在搅拌下滴加1h。冷却，过滤，滤饼用冰水洗涤，经乙醇重结晶，得成品20g，收率61%。
  • 下游产品:4-羟基-3,5-二硝基苯甲醛
  • F:10
  • Acros Organics:4-羟基-3-硝基苯甲醛 4-Hydroxy-3-nitrobenzaldehyde, 97%(3011-34-5)
  • Sigma Aldrich:3011-34-5(sigmaaldrich)
  • MSDS 信息:4-Hydroxy-3-nitrobenzaldehyde(3011-34-5).msds
  • 4-羟基-3-硝基苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0924 4-羟基-3-硝基苯甲醛 4-Hydroxy-3-nitrobenzaldehyde 5G 588元 2014/06/02 H0924 4-羟基-3-硝基苯甲醛 4-Hydroxy-3-nitrobenzaldehyde 25G 1850元 2010/06/21 162890250 4-羟基-3-硝基苯甲醛 4-Hydroxy-3-nitrobenzaldehyde 97% 25 GR 2521元
  • TCI Shanghai:4-羟基-3-硝基苯甲醛 4-Hydroxy-3-nitrobenzaldehyde,>;97.0%(GC)(3011-34-5)

系列性分类

  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. 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
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C7 - Aldehydes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes
  6. C10 to C21

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