Ethyl 2-Chloroacetoacetate 2-氯乙酰乙酸乙酯

CAS 609-15-4 MFCD00009141

化学结构图

609-15-4
SMILES: CCOC(=O)[C@H](Cl)C(C)=O

化学属性

Mol. FormulaC6H9ClO3
Mol. Weight164.59
Refractive index1.4380 to 1.4480
Boiling Point225.5°C at 760 mmHg
Density1.19
Flash Point54°C
TSCAYes
Melting Point-80°C
Solubility17 G/L (20 ºC)
Stability对空气敏感
pH:A

别名和识别编码

Chemical NameEthyl 2-Chloroacetoacetate
Synonym Ethyl 2-chloroacetoacetate {LY} Ethyl 2-chloroacetoacetate {} {LY} Ethyl 2-chloroacetoacetate {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {} {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-chloroacetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number609-15-4
PubChem Substance ID11858
EC Number210-180-4
Beilstein Registry Number774278
MDL NumberMFCD00009141
Reaxys-RN774278
Alfabeta NameETHYLCHLOROACETOACETATE
Chemical Name Translation2-氯乙酰乙酸乙酯
InChIKeyRDULEYWUGKOCMR-UHFFFAOYSA-N
LabNetwork Molecule IDLN00010395
InChIInChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3
Canonical SMILESO=C(C(C(C)=O)Cl)OCC
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分类

  • Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; ester; ketone; racemate; 1fragment
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 有机磷类杀虫剂

相关文献及参考

  • Beil. 3 ,IV,1549
  • Aldrich MSDS 1 , 892:A / Corp MSDS 1 (1), 1588:C / FT-IR 2 (1), 1151:B / FT-IR 1 (1), 689:A / FT-NMR 1 (1), 1098:C / IR-Spectra (2), 355:G / IR-Spectra (3), 402:E / NMR-Reference 2 (1), 580:A / RegBook 1 (1), 787:D / Structure Index 1 , 123:C:1
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H302 Harmful if swallowed 吞食有害
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
Precautionary statements
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • 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。
  • 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。
  • 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+P310
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • 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。
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
UN Number 2920
Risk Statements
  • R10 Flammable 易燃
  • 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
  • R52/53
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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）；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Warnings IRRITANT
Packing GroupII
Hazard Class8/3
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

  • 下游产品:4-甲基-5-甲酸基-1,3-噁唑 --> 4-甲基恶唑-5-羰酰氯 --> 4-(5-醛基-4-甲基-1,3-噻吩-2-基)哌啶-1-甲酸叔丁基酯 --> 2,4-二甲基-1,3-噻唑-5-羧酸 --> 4-甲基-2-[4-(三氟甲基)苯基]-1,3-噻唑-5-甲醛 --> 4-甲基-2-苯基-1,3-噻唑-5-碳酰氯 --> 4-甲基-2-苯基-1,3-噻唑-5-羧酸 --> 2-氨基-4-甲基噻唑-5-羧酸乙酯 --> 2-苯基-4-甲基噻唑-5-甲酸乙酯
  • 方法一:其制备方法是由乙酰乙酸乙酯氯化得到α-氯代乙酰乙酸乙酯。 将等摩尔比的乙酰乙酸乙酯及硫酰氯分别溶于适量溶剂中，在低温、搅拌及负压下，将硫酰氯溶液滴加到乙酰乙酸乙酯中，再继续搅拌数小时。用饱和食盐水洗涤反应物，分去水层，油层经无水硫酸镁干燥后，脱溶，减压蒸馏，收集96～99℃/4～4.7kPa的蒸出物，即为α-氯代乙酰乙酸乙酯。 此反应中的氯化剂也可用氯气代替。
  • MOL 文件:609-15-4.mol
  • Sigma Aldrich:609-15-4(sigmaaldrich)
  • 图谱信息:2-氯乙酰乙酸乙酯(609-15-4)核磁图( 13 CNMR) 2-氯乙酰乙酸乙酯(609-15-4)质谱(MS) 2-氯乙酰乙酸乙酯(609-15-4)核磁图( 1 HNMR) 2-氯乙酰乙酸乙酯(609-15-4)红外图谱(IR1)
  • 海关编码:29183000
  • 用途一:α-氯代乙酰乙酸乙酯用于合成有机磷杀虫剂蝇毒磷的中间体3-氯-4-甲基香豆素。
  • 2-氯乙酰乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 C1218 2-氯乙酰乙酸乙酯 Ethyl 2-Chloroacetoacetate 500G 938元 2011/04/16 C1218 2-氯乙酰乙酸乙酯 Ethyl 2-Chloroacetoacetate 25G 175元 2010/06/21 376312500 2-氯乙酰乙酸乙酯 Ethyl 2-chloroacetoacetate 90% 250 ML 325元
  • Alfa Aesar:2-氯乙酰乙酸乙酯,97% Ethyl 2-chloroacetoacetate, 96%(609-15-4)
  • 上游原料:硫酸镁 --> 乙酰乙酸乙酯 --> 磺酰氯 --> 氯代乙酰
  • F:19
  • Hazard Note:Corrosive
  • 2-氯乙酰乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1218 2-氯乙酰乙酸乙酯 Ethyl 2-Chloroacetoacetate 500G 805元 2014/06/02 C1218 2-氯乙酰乙酸乙酯 Ethyl 2-Chloroacetoacetate 25G 163元 2010/06/21 376312500 2-氯乙酰乙酸乙酯 Ethyl 2-chloroacetoacetate 90% 250 ML 325元
  • Acros Organics:2-氯乙酰乙酸乙酯 Ethyl 2-chloroacetoacetate, 97%(609-15-4)
  • MSDS 信息:2-Chloroacetoacetic acid ethyl ester(609-15-4).msds
  • TCI Shanghai:2-氯乙酰乙酸乙酯 Ethyl 2-Chloroacetoacetate,>;95.0%(GC)(609-15-4)

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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