Ethyl 4,4-Difluoro-3-Oxobutanoate 4,4-二氟乙酰乙酸乙酯

CAS 352-24-9 MFCD00039277

化学结构图

352-24-9
SMILES: CCOC(=O)CC(=O)C(F)F

化学属性

Mol. FormulaC6
Mol. Weight166
Boiling Point160°C(lit.)
Refractive index1.4020 to 1.4060
Appearance 无色透明液体。
Density1.269 g/mL at 25 °C
TSCAYes
Flash Point68°C(lit.)
Melting Point-46°C

别名和识别编码

Chemical NameEthyl 4,4-Difluoro-3-Oxobutanoate
CAS Number352-24-9
Alfabeta NameETHYLDIFLUOROACETOACETATE 44()-,
MDL NumberMFCD00039277
Synonym 3-Oxo-4,4-difluorobutanoic acid ethyl ester 3-Oxo-4,4-difluorobutyric acid ethyl ester 4,4-Difluoro-3-oxo butyric acid ethyl ester 4,4-Difluoro-3-oxo-butyric acid ethyl ester 4,4-Difluoro-3-oxobutanoic acid ethyl ester 4,4-Difluoro-3-oxobutyric acid ethyl ester 4,4-Difluoroacetoacetic acid ethyl ester Ethyl 4,4-difluoro-3-ketobutyrate Ethyl 4,4-difluoro-3-oxobutanoate Ethyl 4,4-difluoro-3-oxobutyrate 4,4-Difluoroacetoacetic acid ethyl ester 4,4-二氟-3-氧代丁酸乙酯 4,4-二氟乙酰乙酸乙酯 AKOS B016254 AKOS MSC-0700 ART-CHEM-BB B016254 Difluoro aceto acetat ETHYL 4,4-DIFLUORO-3-OXOBUTYRATE ETHYL 4,4-DIFLUOROACETOACETATE Ethyl 4,4-difluoro-3-oxobutanoate Ethyl 4,4-difluoro-3-oxobutanoate 90% Ethyl 4,4-difluoro-3-oxobutyrate 90% Ethyl4,4-difluoro-3-oxobutyrate90% ethyl 4,4-difluoro-3-oxobutyrate
EC Number206-519-0
Chemical Name Translation4,4-二氟乙酰乙酸乙酯
Reaxys-RN1101515
InChIKeyCBDPWKVOPADMJC-UHFFFAOYSA-N
PubChem Substance ID67697
LabNetwork Molecule IDLN00003320
InChIInChI=1S/C6H8F2O3/c1-2-11-5(10)3-4(9)6(7)8/h6H,2-3H2,1H3
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分类

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

相关文献及参考

  • 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
  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.

安全信息

Warnings IRRITANT, FLAMMABLE
Hazard Codes F,Xi Xi
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；
  • S37 Wear suitable gloves 戴适当手套；
  • 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；
Risk Statements
  • R10 Flammable 易燃
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 1993 UN1993
Packing GroupIII
WGK Germany3
GHS Symbol
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。
  • 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
  • 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.....
  • 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。
  • P332+P313
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H227 Combustible liquid 可燃液体
Signal word Warning
Storage condition 0-10°C

其他信息

  • MOL 文件:352-24-9.mol
  • Sigma Aldrich:352-24-9(sigmaaldrich)
  • Hazard Note:Flammable

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Fluorous Chemistry 氟化学

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