Ethyl 2-Bromopropionate 2-溴丙酸乙酯

CAS 535-11-5 MFCD00000144

化学结构图

535-11-5
SMILES: CCOC(=O)C(C)Br

化学属性

Mol. FormulaC5H9BrO2
Mol. Weight181.03
Refractive index1.4450 to 1.4470
Boiling Point162.6°C at 760 mmHg
Density1.394
Flash Point51°C
TSCAYes
Solubility与乙醇、乙醚、三氯甲烷相混溶，不溶于水。
Appearance 无色液体。有强烈刺激气味，见光变黄。 与乙醇、乙醚、三氯甲烷相混溶，不溶于水。
pH:A
Melting Point<25 °C

别名和识别编码

Chemical NameEthyl 2-Bromopropionate
CAS Number535-11-5
Alfabeta NameETHYLBROMOPROPIONATE 2-
MDL NumberMFCD00000144
PubChem Substance ID79040
EC Number208-609-5
Beilstein Registry Number773920
Reaxys-RN773920
Merck Number3772
Synonym Ethyl 2-bromopropionate {LY} Ethyl 2-bromopropionate {} {LY} Ethyl 2-bromopropionate {} {} {LY} Ethyl 2-bromopropionate {} {} {} {LY} Ethyl 2-bromopropionate {} {} {} {} {LY} Ethyl 2-bromopropionate {} {} {} {} {} {LY} Ethyl 2-bromopropionate {} {} {} {} {} {} {LY} Ethyl 2-bromopropionate {} {} {} {} {} {} {} {LY} Ethyl 2-bromopropionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-bromopropionate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-bromopropionate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-bromopropionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-bromopropionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-bromopropionate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-bromopropionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-bromopropionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-bro
Chemical Name Translation2-溴丙酸乙酯
LabNetwork Molecule IDLN00173649
InChIInChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
Canonical SMILESBrC(C)C(OCC)=O
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分类

  • {SA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {Chemicalbook} 农药中间体: 除草剂中间体: 苯氧羧酸类和芳氧基苯氧基羧酸类除草剂
  • {SNA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; ester; racemate; 1fragment

产品应用

  • 用于有机合成中间体和溶剂。

相关文献及参考

  • Merck:14,3772
  • Short: III/38B
  • Short: III/47

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H226 Flammable liquid and vapour 易燃液体和蒸气
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 Xn
RTECSUA2451730
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。
  • 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+P332+P313+P362+P364
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P332+P313
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • 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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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
  • R10 Flammable 易燃
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
UN Number 1992 2920
Packing GroupII
Hazard Class3/6.1
Storage condition 2-8°C {LY} 2-8°C Flammables area {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8° 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 500 ug/plate
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   19,311,1992

其他信息

  • 用途四:用于有机合成中间体和溶剂。
  • 图谱信息:2-溴乙酸乙酯(535-11-5)红外图谱(IR2) 2-溴乙酸乙酯(535-11-5)红外图谱(IR1) 2-溴乙酸乙酯(535-11-5)质谱(MS) 2-溴乙酸乙酯(535-11-5)核磁图( 13 CNMR) 2-溴乙酸乙酯(535-11-5)核磁图( 1 HNMR)
  • 方法一:其制备方法是将丙酸和赤磷投入反应瓶内，在60℃滴加溴素约3h加完，升温至100～120℃，保温搅拌6h，冷却，过滤，滤液加热蒸馏，再分馏得2-溴代丙酰溴，将2-溴代丙酰溴与无水乙醇反应即得成品。反应方程式如：CH 3 CH 2 COOH+Br 2 [P]→CH 3 CHBrCOBr+H 2 O CH 3 CHBrCOBr+C 2 H 5 OH→CH 3 CHBrCOOC 2 H 5 +HBr
  • MOL 文件:535-11-5.mol
  • 上游原料:乙醇 --> 氧氯化硫 --> 丙酸 --> 溴代丙酰溴 --> 2-溴丙酰氯
  • 用途二:用作除草剂喹禾灵的专用合成中间体
  • F:8-19
  • 2-溴乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010278 α-溴丙酸乙酯 100g 165元 2011/04/16 B0646 2-溴丙酸乙酯 Ethyl 2-Bromopropionate 25G 219元 2011/04/16 B0646 2-溴丙酸乙酯 Ethyl 2-Bromopropionate 500G 1240元
  • TCI Shanghai:2-溴丙酸乙酯 Ethyl 2-Bromopropionate,>;98.0%(GC)(535-11-5)
  • Acros Organics:乙基-2-溴丙酸酯 DL-Ethyl 2-bromopropionate, 99%(535-11-5)
  • 能与乙醇、乙醚、氯仿混溶，不溶于水。遇光变黄。
  • MSDS 信息:2-Bromopropanoic acid ethyl ester(535-11-5).msds
  • 方法二:由丙酸先后与二氯亚砜、溴反应得到2-溴丙酰氯（[7148-74-5]），进而与乙醇反应制得该品。
  • Sigma Aldrich:535-11-5(sigmaaldrich)
  • Alfa Aesar:2-溴丙酸乙酯,99% Ethyl 2-bromopropionate, 99%(535-11-5)
  • 用途一:用作溶剂，也用于有机合成
  • 用途三:α-溴代丙酸乙酯是除草剂喹禾灵、噁唑禾草灵、噻唑禾草灵、氟吡氯禾草灵、吡氟禾草灵、乳氟禾草灵、异丙甲草胺、敌草胺及杀菌剂甲霜灵、苯霜灵、腐霉利等的中间体。
  • 下游产品:5-甲基嘧啶-4-醇 --> 4-羟基-2-巯基-5-甲基嘧啶 --> 2,4,5-涕丙酸 --> 4-羟基-2-氧代吡咯烷-N-乙酰胺
  • 海关编码:29159080

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. C2 to C5 - 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. C12 to C63