3’-Nitroacetophenone 3′-硝基苯乙酮

CAS 121-89-1 MFCD00007259

化学结构图

121-89-1
SMILES: CC(=O)c1cccc([N+](=O)[O-])c1

化学属性

Mol. FormulaC8H7NO3
Mol. Weight165.15
Boiling Point237.3°C at 760 mmHg
Melting Point75-79°C
TSCAYes
Solubility<0.01 G/100 ML AT 20 ºC
Density1.243
Flash Point202°C
Appearance 黄色油状液体。熔点27-28℃（23℃），沸点178-179℃（4.26kPa），159℃（2.13kPa），129℃（0.44kPa），折光率1.5500。易溶于醇、醚和氯仿，微溶于水。
Refractive indexn20/D 1.55(lit.)

别名和识别编码

Chemical Name3’-Nitroacetophenone
Synonym 1-(3-Nitrophenyl)ethanone {LY} 1-(3-Nitrophenyl)ethanone {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {} {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {} {} {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {} {} {} {} {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Nitrophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00007259
CAS Number121-89-1
PubChem Substance ID87573498
Beilstein Registry Number7,288
EC Number204-504-3
Reaxys-RN743002
Chemical Name Translation3′-硝基苯乙酮
Wiswesser Line NotationWNR CV1
LabNetwork Molecule IDLN00220990
InChIInChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3
Canonical SMILESCC(C1=CC=CC([N+]([O-])=O)=C1)=O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • 用作有机合成中间体。

相关文献及参考

  • Beilstein:7,288
  • Short: III/20a
  • Short: III/35D2

安全信息

WGK Germany2
RTECSAM9625000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes Xn
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S22 Do not breathe dust 不要吸入粉尘；
Risk Statements
  • R21 Harmful in contact with skin 与皮肤接触有害
  • R22 Harmful if swallowed 吞咽有害
Signal word
Hazard statements
  • H303+H313
Precautionary statements
  • P332+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。
GHS Symbol 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 9(Suppl
   9),1,1987

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

  • 图谱信息:邻硝基苯乙酮(577-59-3)核磁图( 13 CNMR) 邻硝基苯乙酮(577-59-3)核磁图( 1 HNMR) 邻硝基苯乙酮(577-59-3)红外图谱(IR1) 邻硝基苯乙酮(577-59-3)Raman光谱 邻硝基苯乙酮(577-59-3)红外图谱(IR2) 邻硝基苯乙酮(577-59-3)质谱(MS)
  • MSDS 信息:o-Nitrophenyl methyl ketone(577-59-3).msds
  • 图谱信息:间硝基苯乙酮(121-89-1)红外图谱(IR1) 间硝基苯乙酮(121-89-1)核磁图( 13 CNMR) 间硝基苯乙酮(121-89-1)质谱(MS)
  • 稳定性:Stable. Incompatible with strong oxidizing agents, strong bases.
  • RTECS号:AM9625000
  • Hazard Note:Harmful
  • 用途二:该品是增感剂，可用作医药中间体。
  • MOL 文件:121-89-1.mol
  • 易溶于热水和乙醚，微溶于乙醇。能随水蒸气挥发。
  • Sigma Aldrich:577-59-3(sigmaaldrich)
  • 用途一:用作感光材料的中间体
  • MOL 文件:577-59-3.mol
  • NIST化学物质信息:3-Nitroacetophenone(121-89-1)
  • 邻硝基苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0110 2'-硝基苯乙酮 2'-Nitroacetophenone 5G 351元 2014/06/02 N0110 2'-硝基苯乙酮 2'-Nitroacetophenone 25G 1080元 2010/06/21 128320025 邻硝基苯乙酮 o-Nitroacetophenone 95% 2.5 GR 457元
  • 用途:用作有机合成中间体。
  • 上游原料:偶氮二异丁腈 --> 正癸酸 --> 2-硝基乙基苯
  • Alfa Aesar:2'-硝基苯乙酮,97% 2'-Nitroacetophenone, 97%(577-59-3)
  • Acros Organics:邻硝基苯乙酮 o-Nitroacetophenone, 95%(577-59-3)
  • 外观性质:针状结晶。
  • 下游产品:间硝基苯乙酮
  • 海关编码:29147090
  • 生产方法:由苯乙酮经硝化而得。此外，与2-硝基苯乙酮的制法相仿，也可用间硝基乙苯氧化而制得该品。
  • 间硝基苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010254 间硝基苯乙酮 100g 180元 2011/04/16 N0109 3'-硝基苯乙酮 3'-Nitroacetophenone 25G 175元 2011/04/16 N0109 3'-硝基苯乙酮 3'-Nitroacetophenone 500G 1250元
  • 方法一:由邻硝基乙苯经氧化而得。将邻硝基乙苯、癸酸以及引发剂偶氮二异丁腈加入反应塔，同时将空气缓缓通入塔内，保持压力0.3-0.8MPa，控制在120-130℃下氧化生成2-硝基苯乙酮。
  • TCI Shanghai:2'-硝基苯乙酮 2'-Nitroacetophenone,>;95.0%(GC)(577-59-3)
  • EPA化学物质信息:Ethanone, 1-(3-nitrophenyl)-(121-89-1)
  • 毒害物质数据:121-89-1(Hazardous Substances Data)

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. Ketones - Carbonyl Compounds
  6. C7 to C8 - Ketones
  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 Ketones
  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. Ketones 酮
  6. C3 to C6

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