1-(2,3,4-Trihydroxyphenyl)ethan-1-one 2',3',4'-三羟基苯乙酮

CAS 528-21-2 MFCD00002193

化学结构图

528-21-2
SMILES: CC(=O)c1ccc(O)c(O)c1O

化学属性

Mol. FormulaC8H8O4
Mol. Weight168.15
Melting Point169-172 °C
TSCAYes
Boiling Point398.1°C at 760 mmHg

别名和识别编码

Chemical Name1-(2,3,4-Trihydroxyphenyl)ethan-1-one
CAS Number528-21-2
Alfabeta NameTRIHYDROXYPHENYLETHANONE 1234()--,,
MDL NumberMFCD00002193
Synonym 1-(2,3,4-Trihydroxyphenyl)ethanone {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {} {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {} {} {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {} {} {} {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {} {} {} {} {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {} {} {} {} {} {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {} {} {} {} {} {} {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {} {} {} {} {} {} {} {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2,3,4-Trihydroxyphenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {
EC Number208-430-2
Merck Number4342
PubChem Substance ID87576979
Reaxys-RN1240320
Beilstein Registry Number1240320
Chemical Name Translation2',3',4'-三羟基苯乙酮
Wiswesser Line NotationQR BQ CQ DV1
LabNetwork Molecule IDLN00165310
Canonical SMILESCC(=O)C1=C(C(=C(C=C1)O)O)O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; alcohol; 1fragment
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 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), carbon-13 (subvol. D), and oxygen-17 (subvol. E) 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 CD-ROM's.
  • 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

Warnings IRRITANT
RTECSAN0527000
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Hazard Codes Xi
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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
  • P305+P351+P338+P337+P313
  • 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
GHS Symbol 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 650 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 7,178,1964

Storage condition 2-8°C {LY} 2-8°C 2-8°C, stored under nitrogen {} {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

其他信息

  • Alfa Aesar:2',3',4'-三羟基苯乙酮,98% 2',3',4'-Trihydroxyacetophenone, 98%(528-21-2)
  • TCI Shanghai:2',3',4'-三羟基苯乙酮 2',3',4'-Trihydroxyacetophenone,>;98.0%(LC)(T)(528-21-2)
  • Sigma Aldrich:528-21-2(sigmaaldrich)
  • 图谱信息:2,3,4-三羟基苯乙酮 (528-21-2)核磁图( 1 HNMR) 2,3,4-三羟基苯乙酮 (528-21-2)质谱(MS) 2,3,4-三羟基苯乙酮 (528-21-2)核磁图( 13 CNMR) 2,3,4-三羟基苯乙酮 (528-21-2)红外图谱(IR1) 2,3,4-三羟基苯乙酮 (528-21-2)红外图谱(IR2)
  • Hazard Note:Irritant
  • Acros Organics:2',3',4'-Trihydroxyacetophenone, 98%(528-21-2)
  • MOL 文件:528-21-2.mol

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. Ketones - Carbonyl Compounds
  6. C7 to C8 - Ketones
  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. Ketones - Carbonyl Compounds
  6. C7 to C8 - Ketones

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