Acetylferrocene 乙酰基二茂铁

CAS 1271-55-2 MFCD00001432

化学结构图

1271-55-2
SMILES: CC(=O)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe]

化学属性

Mol. FormulaC12H12FeO
Mol. Weight228.07
Density1.014
Melting Point87 °C
TSCAYes
Boiling Point160-163 °C at 3.0004 mmHg
Solubility不溶
Flash Point160-163°C/4mm

别名和识别编码

Chemical NameAcetylferrocene
Synonym Acetylferrocene {LY} Acetylferrocene {} {LY} Acetylferrocene {} {} {LY} Acetylferrocene {} {} {} {LY} Acetylferrocene {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {} {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetylferrocene {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00001432
CAS Number1271-55-2
EC Number215-043-2
Beilstein Registry Number2384789
PubChem Substance ID125308257
Reaxys-RN3947753
Chemical Name Translation乙酰基二茂铁
Wiswesser Line NotationL5OJ O-FE-- OL5OJ AV1
InChIKeySPKJCVZOZISLEI-UHFFFAOYSA-N
LabNetwork Molecule IDLN01347041
Canonical SMILES[][Fe][].O=C(C)c1cccc1.c2cccc2
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分类

  • {uni_hamburg} no charge; metal-organic; other heterocycle; carbocycle; alicycle; fused rings; 3ring; 4ring; 5ring; 6ring; ketone; 1fragment; zwitterion
  • {SNA} Catalysis and Inorganic Chemistry, Chemical Synthesis, Iron Catalysts
  • {SNA} Catalysis and Inorganic Chemistry, Chemical Synthesis, Iron

相关文献及参考

  • Short: III/35D5
  • Short: EINECS
  • A procedure for the conversion of methyl ketones to terminal acetylenes is exemplified by reaction with POCl3 - DMF to give (2-formyl-1-chlorovinyl)ferrocene which, by elimination with NaOH, affords ethynylferrocene: J. Organomet. Chem., 6, 173 (1966); Org. Synth. Coll., 9, 411 (1998).

安全信息

Signal word Danger Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S27/28
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • 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;
  • S1 Keep locked up 上锁;
Risk Statements
  • R24 Toxic in contact with skin 与皮肤接触有毒
  • R28 Very toxic if swallowed 吞咽极毒
  • 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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P301+P310
  • P301+P310+P330
  • P305+P351+P338
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H300 Fatal if swallowed 吞食致命
RTECSOB3700000
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Packing GroupII
UN Number 2811 UN 2811 6.1/PG 2 UN3467
Hazard Codes T+
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Gastrointestinal - changes in structure or function of salivary glands
   Skin and Appendages - hair
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0570920

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 75 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#08812

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Vascular - regional or general arteriolar or venous dilation
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0570920

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Ocular
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 30 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.

Storage condition 2-8°C, protect from light, stored under nitrogen {LY} 2-8°C, protect from light, stored under nitrogen {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitr

其他信息

  • 可燃性危险特性:可燃; 加热分解释放刺激烟雾
  • 海关编码:29310095
  • F:10
  • 毒性分级:高毒
  • Acros Organics:乙酰基二茂铁 Acetylferrocene, 95%(1271-55-2)
  • MSDS 信息:(Acetylcyclopentadienyl)cyclopentadienyliron(1271-55-2).msds
  • Alfa Aesar:1-乙酰基二茂铁,97% 1-Acetylferrocene, 97%(1271-55-2)
  • 乙酰基二茂铁价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0775 乙酰基二茂铁 Acetylferrocene 10G 240元 2014/06/02 A0775 乙酰基二茂铁 Acetylferrocene 25G 560元 2010/06/21 147990250 乙酰基二茂铁 Acetylferrocene 95% 25 GR 1156元
  • 下游产品:二茂铁乙炔 --> 乙烯基二茂铁 --> 乙基二茂铁
  • MOL 文件:1271-55-2.mol
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 不溶于水,溶于乙醇。
  • 储运特性:库房通风低温干燥
  • Sigma Aldrich:1271-55-2(sigmaaldrich)
  • 急性毒性:口服- 大鼠 LDL0: 5 毫克/ 公斤; 静脉-小鼠 LD50:75 毫克/公斤
  • 图谱信息:乙酰基二茂铁(1271-55-2)核磁图( 1 HNMR) 乙酰基二茂铁(1271-55-2)质谱(MS) 乙酰基二茂铁(1271-55-2)核磁图( 13 CNMR) 乙酰基二茂铁(1271-55-2)红外图谱(IR2) 乙酰基二茂铁(1271-55-2)红外图谱(IR1)
  • 类别:易燃物品

系列性分类


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