3-Benzylidenepentane-2,4-Dione 3-苄烯-2,4-戊二酮

CAS 4335-90-4 MFCD00014990

化学结构图

4335-90-4
SMILES: CC(=O)C(=Cc1ccccc1)C(C)=O

化学属性

Mol. FormulaC12H12O2
Mol. Weight188.22
Refractive indexn20/D 1.583(lit.)
Boiling Point185-188 °C at 15 mmHg
Density1.081 g/mL at 25 °C(lit.)
Flash Point>110°(230°F)
TSCAYes
Melting Point169 °C

别名和识别编码

Chemical Name3-Benzylidenepentane-2,4-Dione
CAS Number4335-90-4
PubChem Substance ID95782
EC Number224-382-5
MDL NumberMFCD00014990
Synonym 3-Benzylidenepentane-2,4-dione {LY} 3-Benzylidenepentane-2,4-dione {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {} {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {} {} {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {} {} {} {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {} {} {} {} {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {} {} {} {} {} {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {} {} {} {} {} {} {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Benzylidenepentane-2,4-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-B
Beilstein Registry Number0972849
Chemical Name Translation3-苄烯-2,4-戊二酮
InChIKeyNYRGMNMVISROGJ-UHFFFAOYSA-N
Wiswesser Line Notation1VYV1&U1R
LabNetwork Molecule IDLN01319607
InChIInChI=1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3
Canonical SMILESCC(/C(C(C)=O)=C/C1=CC=CC=C1)=O
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分类

  • Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xi
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 Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSSA1930000
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。
  • P305+P351+P338
Signal word Warning
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 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#08898

Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • Alfa Aesar:3-苯亚甲基-2,4-戊烷二酮,97% 3-Benzylidene-2,4-pentanedione, 97%(4335-90-4)
  • 3-亚苄基-2,4-戊二酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L00623 3-苯亚甲基-2,4-戊烷二酮, 97% 3-Benzylidene-2,4-pentanedione, 97% 5g 386元 2010/05/25 L00623 3-苯亚甲基-2,4-戊烷二酮, 97% 3-Benzylidene-2,4-pentanedione, 97% 25g 1385元
  • MOL 文件:4335-90-4.mol
  • Sigma Aldrich:4335-90-4(sigmaaldrich)

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. C11 to C12 - Ketones

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