4-Nitrophenylacetic Acid 4-硝基苯乙酸

CAS 104-03-0 MFCD00007383

化学结构图

104-03-0
SMILES: O=C(O)Cc1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC8H7NO4
Mol. Weight181.15
Density1.407
Melting Point150-155°C
Solubility略溶于水
TSCAYes
Appearance 对硝基苯乙酸(104-03-0)为浅黄色针状结晶。熔点153℃（150℃）。溶于热水、乙醇和苯，微溶于冷水。
Boiling Point314.24 °C at 760 mmHg

别名和识别编码

Chemical Name4-Nitrophenylacetic Acid
MDL NumberMFCD00007383
CAS Number104-03-0
EC Number203-168-5
Beilstein Registry Number1911801
Synonym 4-Nitrobenzeneacetic acid {LY} 4-Nitrobenzeneacetic acid {} {LY} 4-Nitrobenzeneacetic acid {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {} {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {} {} {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrobenzeneacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro
PubChem Substance ID4661
Merck Number6621
Alfabeta NameNITROPHENYLACETICACID 24()--
Reaxys-RN1911801
Chemical Name Translation4-硝基苯乙酸
Wiswesser Line NotationWNR D1VQ
LabNetwork Molecule IDLN00010105
InChIInChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
Canonical SMILESO=C(O)CC1=CC=C([N+]([O-])=O)C=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • 用于有机合成。

相关文献及参考

  • Short: EINECS
  • Short: III/35E
  • Merck:14,6622 Beilstein:9,455
  • Merck:14,6622

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
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；
  • S37 Wear suitable gloves 戴适当手套；
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
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
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
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
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H318 Causes serious eye damage 严重伤害眼睛
RTECSAJ1130010
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Warnings IRRITANT 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,32,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 830 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 13,286,1958

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 500 ug/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 170,11,1986

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

  • MSDS 信息:2-(4-Nitrophenyl)acetic acid(104-03-0).msds
  • 海关编码:29163900
  • 用途一:主要用于医药和其他有机合成，还可用于生化研究
  • 对硝基苯乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0227 4-硝基苯乙酸 4-Nitrophenylacetic Acid 25G 253元 2014/06/02 N0227 4-硝基苯乙酸 4-Nitrophenylacetic Acid 500G 1910元 2010/06/21 128760500 对硝基苯乙酸 4-Nitrophenylacetic acid 99% 50 GR 490元
  • 方法一:由对硝基苯乙腈水解而得。将对硝基苯乙腈、浓硫酸和水混合，加热回流15min。再把反应物倒入冰水中，析出结晶，过滤，用冰水洗涤滤饼，再用水重结晶，即得对硝基苯乙酸。收率92%以上。
  • TCI Shanghai:4-硝基苯乙酸 4-Nitrophenylacetic Acid,>;98.0%(LC)(T)(104-03-0)
  • Sigma Aldrich:104-03-0(sigmaaldrich)
  • 用途二:用于有机合成。
  • Hazard Note:Irritant
  • Alfa Aesar:4-硝基苯乙酸,98% 4-Nitrophenylacetic acid, 98%(104-03-0)
  • Acros Organics:4-硝基苯乙酸 4-Nitrophenylacetic acid, 99%(104-03-0)
  • 图谱信息:对硝基苯乙酸(104-03-0)核磁图( 1 HNMR) 对硝基苯乙酸(104-03-0)红外图谱(IR1) 对硝基苯乙酸(104-03-0)质谱(MS) 对硝基苯乙酸(104-03-0)红外图谱(IR2)
  • 溶于热水、乙醇、氯仿、乙醚和苯，微溶于水。
  • 下游产品:对氨基苯乙酸
  • MOL 文件:104-03-0.mol
  • 上游原料:对硝基苯乙腈

系列性分类

  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. Carboxylic Acids - Carbonyl Compounds
  6. C8 - Carboxylic Acids
  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. Aromatic acids
  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. Carboxylic Acids
  6. C7

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