2-Benzoylpyridine 2-苯甲酰吡啶

CAS 91-02-1 MFCD00006300

化学结构图

91-02-1
SMILES: O=C(c1ccccc1)c1ccccn1

化学属性

Mol. FormulaC12H9NO
Mol. Weight183.21
Boiling Point317.7°C at 760 mmHg
Melting Point41-43°C
Density1.16
Flash Point167°(332°F)
TSCAYes
Solubility不溶

别名和识别编码

Chemical NamePhenyl(pyridin-2-yl)methanone
MDL NumberMFCD00006300
CAS Number91-02-1
Synonym 2-Benzoylpyridine {LY} 2-Benzoylpyridine {} {LY} 2-Benzoylpyridine {} {} {LY} 2-Benzoylpyridine {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {} {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {} {} {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzoylpyridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzoylpyridine
PubChem Substance ID87563394
EC Number202-034-3
Beilstein Registry Number21,330
Reaxys-RN120283
Chemical Name Translation2-苯甲酰吡啶
Wiswesser Line NotationT6NJ BVR
InChIKeyGCSHUYKULREZSJ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00195709
InChIInChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H
Canonical SMILESO=C(C1=CC=CC=C1)C2=NC=CC=C2
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Building Blocks, C12, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines

相关文献及参考

  • 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 and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
  • Short: III/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

GHS Symbol
WGK Germany3
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSOB6400000
Precautionary statements
  • 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。
  • 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。
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
Signal word Warning
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
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 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 475 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 14,551,1971

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

  • Alfa Aesar:2-苯甲酰吡啶,99% 2-Benzoylpyridine, 99%(91-02-1)
  • MSDS 信息:Phenyl-2-pyridyl ketone(91-02-1).msds
  • Acros Organics:2-苯甲酰吡啶 2-Benzoylpyridine, 99+%(91-02-1)
  • TCI Shanghai:2-苯甲酰吡啶 2-Benzoylpyridine,>;99.0%(GC)(91-02-1)
  • Sigma Aldrich:91-02-1(sigmaaldrich)
  • 图谱信息:2-苯甲酰基吡啶(91-02-1)核磁图( 1 HNMR) 2-苯甲酰基吡啶(91-02-1)红外图谱(IR1) 2-苯甲酰基吡啶(91-02-1)红外图谱(IR2) 2-苯甲酰基吡啶(91-02-1)核磁图( 13 CNMR) 2-苯甲酰基吡啶(91-02-1)红外图谱(IR3) 2-苯甲酰基吡啶(91-02-1)质谱(MS)
  • Hazard Note:Irritant
  • 海关编码:29333999
  • 2-苯甲酰基吡啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0304 2-苯甲酰吡啶 2-Benzoylpyridine 500G 2580元 2014/06/02 B0304 2-苯甲酰吡啶 2-Benzoylpyridine 25G 208元 2010/06/21 105800250 2-苯甲酰基吡啶 2-Benzoylpyridine 99+% 25 GR 212元
  • MOL 文件:91-02-1.mol

系列性分类

  1. C12 - Pyridines
  1. C6 to C7 - Pyridines
  1. C7 and C8
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyridines 吡啶

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