Diethyl 2-bromomalonate 溴代丙二酸二乙酯

CAS 685-87-0 MFCD00009138

化学结构图

685-87-0
SMILES: CCOC(=O)C(Br)C(=O)OCC

化学属性

Mol. FormulaC7H11BrO4
Mol. Weight239.06
Refractive index1.4510 to 1.4540
Boiling Point233-235°C at 760 mmHg
Density1.402
Flash Point111°C(lit.)
TSCAYes
Melting Point-54 °C

别名和识别编码

Chemical NameDiethyl 2-bromomalonate
CAS Number685-87-0
PubChem Substance ID69637
EC Number211-683-1
Beilstein Registry Number509768
MDL NumberMFCD00009138
Reaxys-RN509768
Synonym Bromomalonic acid diethyl ester {LY} Bromomalonic acid diethyl ester {} {LY} Bromomalonic acid diethyl ester {} {} {LY} Bromomalonic acid diethyl ester {} {} {} {LY} Bromomalonic acid diethyl ester {} {} {} {} {LY} Bromomalonic acid diethyl ester {} {} {} {} {} {LY} Bromomalonic acid diethyl ester {} {} {} {} {} {} {LY} Bromomalonic acid diethyl ester {} {} {} {} {} {} {} {LY} Bromomalonic acid diethyl ester {} {} {} {} {} {} {} {} {LY} Bromomalonic acid diethyl ester {} {} {} {} {} {} {} {} {} {LY} Bromomalonic acid diethyl ester {} {} {} {} {} {} {} {} {} {} {LY} Bromomalonic acid diethyl ester {} {} {} {} {} {} {} {} {} {} {} {LY} Bromomalonic acid diethyl ester {} {} {} {} {} {} {} {} {} {} {} {} {LY} Bromomalonic acid diethyl ester {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Bromomalonic acid diethyl ester {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Bromomalonic acid diethyl
Chemical Name Translation溴代丙二酸二乙酯
InChIKeyFNJVDWXUKLTFFL-UHFFFAOYSA-N
LabNetwork Molecule IDLN00009686
Canonical SMILESO=C(OCC)C(Br)C(OCC)=O
InChIInChI=1S/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Short: III/47
  • In the presence of 1,8-Diazabicyclo[5.4.0]undec-7-ene, A12449, and CuBr2, reacts with styrenes or alkenes with electron-withdrawing groups to give 2-substituted cyclopropane-1,1-dicarboxylate esters: Bull. Chem. Soc. Jpn., 55, 2687 (1982).
  • Condenses with substituted o-hydroxyacetophenones in a convenient synthesis of 2-aryl-3(2H)-benzofuranones: Synth. Commun., 23, 961 (1993):

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 8 C
Precautionary statements
  • P234 Keep only in original container. 只保留在原来的容器中。
  • 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。
  • 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。
  • 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。
  • P301+P330+P331
  • P301+P330+P331+P310
  • P302+P361+P354
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
  • P316
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P405 Store locked up. 上锁保管。
  • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
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）；
Risk Statements
  • R34 Causes burns 会导致灼伤
UN Number 3265 UN3265
Packing GroupII
Hazard Class8
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

  • Sigma Aldrich:685-87-0(sigmaaldrich)
  • F:19
  • Hazard Note:Corrosive/Lachrymator
  • 检测方法:GC,NMR,MS
  • 下游产品:3-甲基苯并呋喃-2-羧酸 --> 苯并呋喃-2-羧酸
  • 溴代丙二酸二乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1205 溴代丙二酸二乙酯 Diethyl Bromomalonate 25G 215元 2014/06/02 B1205 溴代丙二酸二乙酯 Diethyl Bromomalonate 500G 2200元 2010/06/21 114190250 溴代丙二酸二乙酯 Diethyl bromomalonate 90-95% 25 ML 407元
  • 图谱信息:溴代丙二酸二乙酯(685-87-0)质谱(MS) 溴代丙二酸二乙酯(685-87-0)核磁图( 13 CNMR) 溴代丙二酸二乙酯(685-87-0)Raman光谱 溴代丙二酸二乙酯(685-87-0)核磁图( 1 HNMR) 溴代丙二酸二乙酯(685-87-0)红外图谱(IR1)
  • TCI Shanghai:溴代丙二酸二乙酯 Diethyl Bromomalonate,>;85.0%(GC)(685-87-0)
  • 上游原料:乙酸乙酯 --> 四氢呋喃 --> 石油醚 --> 碳酸钠 --> 溴 --> 四氯化碳 --> 丙二酸二乙酯
  • Acros Organics:溴代丙二酸二乙酯 Diethyl bromomalonate, 90-95%(685-87-0)
  • MOL 文件:685-87-0.mol
  • Alfa Aesar:溴代丙二酸二乙酯,90+% Diethyl bromomalonate, 90+%(685-87-0)
  • 敏感性:Lachrymatory

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. Esters - Carbonyl Compounds
  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. Esters - Carbonyl Compounds
  6. C6 to C7 - Esters
  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. Esters
  6. C2 to C5

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