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


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