Benzoylacetone 苯甲酰丙酮

CAS 93-91-4 MFCD00008786

化学结构图

93-91-4
SMILES: CC(=O)CC(=O)c1ccccc1

化学属性

Mol. FormulaC10H10O2
Mol. Weight162.19
Density1.09
Melting Point54-56°C
TSCAYes
Boiling Point260-262°C at 760 mmHg
Solubility不溶
Refractive index1.56775
Stability对湿度敏感
Flash Point260-262°C
Appearance 无色结晶，熔点61℃，沸点261-262℃，相对密度1.090（60/4℃），折光率1.5678（77.8℃），难溶于水，易溶于苯、氯仿、四氯化碳、醇、醚及浓碱溶液，有持久的刺激性气味。

别名和识别编码

Chemical NameBenzoylacetone
Synonym Benzoylacetone {PubChem} 1-phenyl-1,3-butanedione benzoylacetone {} {} {LY} Benzoylacetone {} {} {} {LY} Benzoylacetone {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} 1-phenyl-1,3-butanedione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number7,680
PubChem Substance ID7166
CAS Number93-91-4
EC Number202-286-4
MDL NumberMFCD00008786
Reaxys-RN742413
Chemical Name Translation苯甲酰丙酮
LabNetwork Molecule IDLN00192877
InChIInChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
Canonical SMILESCC(CC(C1=CC=CC=C1)=O)=O
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分类

  • {SNA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • 检定铊试剂。有机合成。

相关文献及参考

  • Short: II/27B
  • Dimetallated derivatives react with electrophiles preferentially at the terminal position; e.g. arylation by 2-chloroquinoline: J. Org. Chem., 37, 3199 (1972); J. Am. Chem. Soc., 97, 374 (1975). Reaction with aromatic esters gives 1,3-diaryl-1,3,5-pentanetriones, which can be cyclized with acid to -pyrones: Org. Synth. Coll., 5, 718, 721 (1973):
  • Beilstein:7,680

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
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；
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
  • 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。
  • P264+P265
  • 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。
  • 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+P352
  • P304+P340
  • P305+P351+P338
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSEK3540200
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   14,1325,1965

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,28,1953

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

其他信息

  • 可燃性危险特性:可燃; 燃烧产生刺激烟雾
  • 图谱信息:1-苯基-1,3-丁二酮(93-91-4)核磁图( 1 HNMR) 1-苯基-1,3-丁二酮(93-91-4)Raman光谱 1-苯基-1,3-丁二酮(93-91-4)核磁图( 13 CNMR) 1-苯基-1,3-丁二酮(93-91-4)红外图谱(IR2) 1-苯基-1,3-丁二酮(93-91-4)质谱(MS) 1-苯基-1,3-丁二酮(93-91-4)红外图谱(IR1)
  • 用途二:检定铊试剂。有机合成。
  • 海关编码:29143900
  • Sigma Aldrich:93-91-4(sigmaaldrich)
  • 毒性分级:中毒
  • Acros Organics:1-苯甲酰丙酮 1-Benzoylacetone, 98%(93-91-4)
  • 急性毒性:口服-大鼠 LD: >;500 毫克/公斤; 未名-大鼠 LDL0: 600 毫克/公斤
  • 有持久的刺激性气味。易溶于乙醇、乙醚和浓碱溶液，不溶于水。
  • 上游原料:乙醚 --> 乙酰乙酸乙酯 --> 苯甲酰氯 --> 乙酰苯 --> 乙基乙酰乙酸钠 --> 2'-碘苯乙酮
  • 方法一:1.苯乙酮和乙酸乙酯反应将6g乙醇钠在冷却下加入20g乙酸乙酯，15min后再加入10g苯乙酮。当苯甲酰丙酮开始析出时，加入少量无水乙醚，4h后过滤，用乙醚洗涤、干燥。然后将其溶于水，用乙酸酸化即分离出苯甲酰丙酮10g。2.苯乙酮与乙酐反应将20g苯乙酮和34g乙酐，在冷却下加入乙酸钠（45g乙酸钠溶于100ml水）。然后用三氟化硼使其成饱和溶液。用水蒸气蒸馏，开始为油状物，冷却后则析出结晶，用乙醚萃取，干燥后再蒸馏得产品22.5g。3.苯甲酰氯与乙酰乙酸乙酯反应在溶剂乙醚中，苯甲酰氯与乙酰乙酸乙酯钠反应得到苯甲酰乙酰乙酸乙酯，再加水回流5小时，用水蒸气蒸馏得到苯甲酰丙酮。
  • 下游产品:5-甲基-3-苯基-4-异恶唑胺 --> 5-甲基-3-苯基异噁唑
  • MOL 文件:93-91-4.mol
  • 用途一:分析试剂。优良的螯合萃取剂。
  • 储运特性:通风低温干燥
  • 1-苯基-1,3-丁二酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 LA1453701 苯甲酰丙酮;1-苯基-1,3-丁二酮;α-乙酰苯乙酮 50g 462元 2011/08/23 K1283002 苯甲酰丙酮;1-苯基-1,3-丁二酮;α-乙酰苯乙酮 10g 893元 2011/04/16 P0160 1-苯基-1,3-丁二酮 1-Phenyl-1,3-butanedione 500G 4330元
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品
  • TCI Shanghai:苯甲酰丙酮 1-Phenyl-1,3-butanedione,>;98.0%(GC)(93-91-4)
  • MSDS 信息:1-Phenyl-1,3-butanedione(93-91-4).msds
  • Alfa Aesar:苯甲酰丙酮,98+% Benzoylacetone, 98+%(93-91-4)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  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. Others 其他杂环
  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. C10 - 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
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Oxidation - Synthetic Reagents
  4. Environmentally-friendly Oxidation
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Catalysts for Organic Synthesis 有机合成催化剂
  4. Cobalt

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