4-Nitroacetanilide 对硝基乙酰苯胺

CAS 104-04-1 MFCD00007303

化学结构图

104-04-1
SMILES: CC(=O)Nc1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC8H8N2O3
Mol. Weight180.16
Melting Point213-215 °C
TSCAYes
Density1.340
Appearance 白色棱状结晶。熔点215-216（207℃），沸点100℃（1.06×10-3kPa）。溶于热水、醇、醚，溶于氢氧化钾溶液成橙色，几乎不溶于冷水。
Boiling Point312.97 °C at 760 mmHg

别名和识别编码

Chemical Name4-Nitroacetanilide
MDL NumberMFCD00007303
CAS Number104-04-1
Synonym N-(4-Nitrophenyl)acetamide {LY} N-(4-Nitrophenyl)acetamide {} {LY} N-(4-Nitrophenyl)acetamide {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {
EC Number203-169-0
Merck Number6581
Beilstein Registry Number12(3)1594
PubChem Substance ID87573497
Chemical Name Translation对硝基乙酰苯胺
Reaxys-RN2211962
Wiswesser Line NotationWNR DMV1
LabNetwork Molecule IDLN00198016
InChIInChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)
Canonical SMILESCC(NC1=CC=C([N+]([O-])=O)C=C1)=O
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Protected Amines
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; amide; 1fragment

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts an

安全信息

RTECSAE5075000
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 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
GHS Symbol
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。
  • P302+P352+P332+P313+P362+P364
  • 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
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • 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
WGK Germany3
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Hazard Codes Xi
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
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: 5,10,1953

其他信息

  • 方法一:由乙酰苯胺经硝化制得。将98%的硫酸675kg加入硝化锅内，搅拌，并在20-25℃，2-2.5h内加入99%的乙酰苯胺225kg。待全部溶解后，降温至7℃，在4-7℃约20h内滴加混酸（由63kg水、60kg98%硫酸及107kg96%硝酸配成）。滴加完毕，稀释于4000L冰水中，静置1h。虹吸分离上层废酸，将下层物料过滤，用水洗至中性，即得4-硝基乙酰苯胺。另一种制法是用对硝基苯胺经乙酰化而得。
  • TCI Shanghai:4'-硝基乙酰苯胺 4'-Nitroacetanilide,>;99.0%(GC)(104-04-1)
  • 图谱信息:对硝基乙酰苯胺(104-04-1)红外图谱(IR2) 对硝基乙酰苯胺(104-04-1)核磁图( 1 HNMR) 对硝基乙酰苯胺(104-04-1)质谱(MS) 对硝基乙酰苯胺(104-04-1)红外图谱(IR1) 对硝基乙酰苯胺(104-04-1)核磁图( 13 CNMR)
  • 用途一:用作药物和染料的中间体。
  • Acros Organics:4'-Nitroacetanilide, 99%(104-04-1)
  • Sigma Aldrich:104-04-1(sigmaaldrich)
  • MOL 文件:104-04-1.mol
  • Alfa Aesar:4'-硝基乙酰苯胺,98% 4'-Nitroacetanilide, 98%(104-04-1)
  • 下游产品:4-氨基乙酰苯胺 --> N-甲基对硝基苯胺 --> 5-氨基-2-硝基苯甲酸
  • 对硝基乙酰苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30130880 4-硝基乙酰苯胺;对硝基乙酰苯胺; N-乙酰对硝基苯胺 100g 507.1元 2011/04/16 N0108 4'-硝基乙酰苯胺 4'-Nitroacetanilide 25G 520元 2011/04/16 N0108 4'-硝基乙酰苯胺 4'-Nitroacetanilide 500G 4180元

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. Amides - Carbonyl Compounds
  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. Protected Amines - Nitrogen Compounds
  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. Protected Amines - Nitrogen Compounds
  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. Polyamines

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