3-(4-Nitrophenyl)-1-phenylprop-2-en-1-one 3-(4-硝基苯基)-1-苯基丙-2-烯-1-酮

CAS 1222-98-6 MFCD00007382

化学结构图

1222-98-6
SMILES: O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1

化学属性

Mol. FormulaC15H11NO3
Mol. Weight253
Melting Point163.0 to 167.0 deg-C
TSCAYes

别名和识别编码

Chemical Name3-(4-Nitrophenyl)-1-phenylprop-2-en-1-one
MDL NumberMFCD00007382
PubChem Substance ID5377323
CAS Number1222-98-6
EC Number214-949-5
Reaxys-RN400543
Beilstein Registry Number7(2)429
Synonym 3-(p-Nitrophenyl)-1-phenyl-2-propen-1-one 1-(4-Nitrophenyl)-3-phenyl-2-propen-1-one 4-nitro-chalcon 3-(4-nitrophenyl)-1-phenyl-2-propen-1-on 2-(4-Nitrobenzylidene)acetophenone 4-NITROCHALCONE 4-Nitrostyrylphenyl ketone 4-Nitrocalone 3-(p-Nitrophenyl)-1-phenyl-2-propen-1-one trans-4-Nitrochalcone 3-(4-NITROPHENYL)-1-PHENYLPROP-2-EN-1-ONE 4-nitrocalone Chalcone, 4-nitro- 3-(4-nitrophenyl)-1-phenyl-2-propen-1-one 2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl- 3-(4-Nitrophenyl)-1-phenyl-2-propen-1-one PARA-NITROBENZYLIDENEACETOPHENONE 1-(4-Nitrophenyl)-3-oxo-3-phenylpropene 4-硝基查尔酮 4-硝基查耳酮 4-Nitrobenzylidenacetophenon 4-Nitrochalkon 4-Nitrostyryl phenyl ketone 3-(4-nitro-phenyl)-1-phenyl-propenone (4-Nitrobenzylidene)acetophenone p-Nitrostyryl phenyl ketone p-Nitrobenzylideneacetophenone 4-Nitrochalcone 4-NITROBENZYLIDENEACETOPHENONE p-Nitrobenzylideneacetophenone p-nitrobenzylideneacetophenone β-(4-Nitrophenyl)acrylophenone p-Nitrostyryl phenyl ketone
Chemical Name Translation3-(4-硝基苯基)-1-苯基丙-2-烯-1-酮
InChIInChI=1S/C15H11NO3/c17-15(13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)16(18)19/h1-11H/b11-8+
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分类

  • Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SA} Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Beil. 7 ,482
  • FT-IR 2 (2), 2443:C / FT-IR 1 (2), 53:A / IR-Spectra (3), 881:C / IR-Spectra (2), 771:C / NMR-Reference 2 (2), 56:A / RegBook 1 (2), 1661:G / Structure Index 1 , 262:C:4
  • 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.
  • {uni_hambur

安全信息

WGK Germany2
RTECSFL7075500
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word
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
  • H351 Suspected of causing cancer 怀疑致癌
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • 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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+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。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P337+P313
  • 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
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
Hazard Codes Xi
GHS Symbol
Packing Groupn/a
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >3 gm/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: 25,860,1970

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 6,218,1954

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 188,267,1987

其他信息

  • 图谱信息:4-硝基查耳酮(1222-98-6)红外图谱(IR1) 4-硝基查耳酮(1222-98-6)红外图谱(IR2) 4-硝基查耳酮(1222-98-6)质谱(MS)
  • Acros Organics:4-硝基查耳酮 4-Nitrochalcone, 99%(1222-98-6)
  • TCI Shanghai:4-硝基查耳酮 4-Nitrochalcone,>;95.0%(GC)(1222-98-6)
  • 4-硝基查耳酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0839 4-硝基查耳酮 4-Nitrochalcone 5G 260元 2014/06/02 N0839 4-硝基查耳酮 4-Nitrochalcone 25G 876元 2010/06/21 169330050 4-硝基查耳酮 4-Nitrochalcone 99% 5 GR 382元
  • Sigma Aldrich:1222-98-6(sigmaaldrich)
  • MOL 文件:1222-98-6.mol
  • Alfa Aesar:4-硝基查尔酮,99% 4-Nitrochalcone, 99%(1222-98-6)

系列性分类


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