Methyl 4-bromocrotonate 4-溴巴豆酸甲酯

CAS 1117-71-1 MFCD00000246

化学结构图

1117-71-1
SMILES: COC(=O)C=CCBr

化学属性

Mol. FormulaC5H7BrO2
Mol. Weight179.01
Refractive indexn20/D 1.501(lit.)
Boiling Point83-85°C at 760 mmHg
Density1.522
Flash Point92°C
TSCAYes

别名和识别编码

Chemical NameMethyl 4-bromocrotonate
CAS Number1117-71-1
PubChem Substance ID5369175
EC Number214-251-0
MDL NumberMFCD00000246
Synonym Methyl 4-bromocrotonate {LY} Methyl 4-bromocrotonate {} {LY} Methyl 4-bromocrotonate {} {} {LY} Methyl 4-bromocrotonate {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {} {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {} {} {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-bromocrotonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number1745755
Reaxys-RN1745755
Chemical Name Translation4-溴巴豆酸甲酯
InChIKeyRWIKCBHOVNDESJ-NSCUHMNNSA-N
Wiswesser Line NotationE2U1VO1
LabNetwork Molecule IDLN00224478
InChIInChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+
Canonical SMILESO=C(OC)/C=C/CBr
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分类

  • Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Undergoes a vinylogous Reformatsky reaction with carbonyl compounds, to give δ-hydroxy-ɑß-unsaturated esters: Liebigs Ann. Chem., 709, 29 (1967). Use of a Zn-Ag couple allows Reformatsky coupling to be carried out with or without allylic rearrangement depending on whether ether or THF is used as the solvent: Synth. Commun., 19, 2355 (1989). For a review of the Reformatsky synthesis, see: Synthesis, 571 (1989).

安全信息

GHS Symbol
WGK Germany3
Hazard Codes
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSGQ3120000
Precautionary statements
  • 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。
  • P303+P361+P353+P310+P363
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • P301+P330+P331
  • P304+P340
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P304+P340+P310
Signal word
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;
  • S36/37/39 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;
  • 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);
  • 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;
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
Risk Statements
UN Number
Packing GroupIII
Hazard Class8
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
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#00811

其他信息

  • MSDS 信息:Methyl 4-bromocrotonate (1117-71-1).msds
  • 检测方法:GC
  • TCI Shanghai:4-溴巴豆酸甲酯 Methyl 4-Bromocrotonate,>;85.0%(GC)(1117-71-1)
  • 4-溴巴豆酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010175 4-溴巴豆酸甲酯 10g 350元 2011/04/16 M1689 4-溴巴豆酸甲酯 Methyl 4-Bromocrotonate 25G 873元 2011/04/16 M1689 4-溴巴豆酸甲酯 Methyl 4-Bromocrotonate 5G 298元
  • Acros Organics:4-溴代巴豆酸甲酯 Methyl 4-bromocrotonate, tech., 85%(1117-71-1)
  • Sigma Aldrich:1117-71-1(sigmaaldrich)
  • MOL 文件:1117-71-1.mol
  • F:8-9
  • Hazard Note:Corrosive
  • Alfa Aesar:4-溴巴豆酸甲酯,tech.85% Methyl 4-bromocrotonate, tech. 85%(1117-71-1)

系列性分类


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