2-Phenylacetophenone 二苯乙酮

CAS 451-40-1 MFCD00003081

化学结构图

451-40-1
SMILES: O=C(Cc1ccccc1)c1ccccc1

化学属性

Mol. FormulaC14H12O
Mol. Weight196.24
Boiling Point319-321°C at 760 mmHg
Melting Point53-57°C
Density1.08
Flash Point113°C
TSCAYes
Appearance 微黄色片状结晶。熔点53-60℃。溶于醇、酮、醚，稍溶于热水。沸点320℃。
SolubilitySoluble in water (partly), methanol, alcohols, and ketones.
Stability对热敏感

别名和识别编码

Chemical NameDeoxybenzoin
CAS Number451-40-1
Synonym 2-Phenylacetophenone {LY} 2-Phenylacetophenone {} {LY} 2-Phenylacetophenone {} {} {LY} 2-Phenylacetophenone {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {} {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-P
Beilstein Registry Number1072876
PubChem Substance ID87563472
EC Number207-193-2
MDL NumberMFCD00003081
Reaxys-RN1072876
Chemical Name Translation二苯乙酮
Wiswesser Line NotationRV1R
LabNetwork Molecule IDLN00204933
Canonical SMILESO=C(C1=CC=CC=C1)CC2=CC=CC=C2
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分类

  • Building Blocks, C13 to C14, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Building Blocks, C13 to C14, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • 中间体。

相关文献及参考

  • Merlin, A. et al.: J. Chim. Phsy. Phys.-Chim. Biol., 78, 267 (1981); Taylor, L.J. et al.: J. Appl. Polym. Sci., 26, 2917 (1981);
  • Short: VIII/5A
  • Short: IV/7b
  • Short: IV/20B
  • Reaction with acetonitrile and phosphorus oxychloride provides a simple direct route to the 3-arylisoquinoline system: Tetrahedron, 44, 6681 (1988):
  • Beilstein:7(2)368

安全信息

WGK Germany3
RTECSAM9662500
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Signal word Warning
GHS Symbol
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
Precautionary statements 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#03836

其他信息

  • Acros Organics:二苯乙酮/α-苯基苯乙酮 Deoxybenzoin, 98%(451-40-1)
  • 海关编码:29143900
  • 方法一:将苯乙酸和三氯化磷反应制成苯乙酰氯，再在无水三氯化铝存在下与苯反应。反应产物减压蒸出过量苯，继续减压蒸馏，收集160℃（0.67kPa）馏分，即为二苯乙酮。
  • 下游产品:(+)-1-苯基-2-(对甲基苯基)乙胺
  • Sigma Aldrich:451-40-1(sigmaaldrich)
  • TCI Shanghai:苄基苯基酮 Benzyl Phenyl Ketone,>;98.0%(GC)(451-40-1)
  • 二苯基乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0435 苄基苯基酮 Benzyl Phenyl Ketone 25G 240元 2014/06/02 B0435 苄基苯基酮 Benzyl Phenyl Ketone 250G 1280元 2010/06/21 111960250 二苯基乙酮 Deoxybenzoin 98% 25 GR 494元
  • 溶于乙醇、丙酮和乙醚，微溶于热水。
  • 二苯基乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 B0435 苄基苯基酮 Benzyl Phenyl Ketone 25G 337元 2011/04/16 B0435 苄基苯基酮 Benzyl Phenyl Ketone 250G 1680元 2010/06/21 111960250 二苯基乙酮 Deoxybenzoin 98% 25 GR 494元
  • 上游原料:三氯化铝 --> 苯乙酰氯
  • MSDS 信息:2-Phenylacetophenone(451-40-1).msds
  • F:8-10
  • 用途一:三苯氧胺的中间体。
  • Alfa Aesar:二苯乙酮(羰基型),97% Deoxybenzoin, 97%(451-40-1)
  • 图谱信息:二苯基乙酮(451-40-1)红外图谱(IR1) 二苯基乙酮(451-40-1)红外图谱(IR2) 二苯基乙酮(451-40-1)核磁图( 13 CNMR) 二苯基乙酮(451-40-1)质谱(MS) 二苯基乙酮(451-40-1)核磁图( 1 HNMR)
  • MOL 文件:451-40-1.mol

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. C13 to C14 - 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. C11 to C12