Benzeneacetic acid, 2-​methoxy- 2-甲氧基苯乙酸

CAS 93-25-4 MFCD00004321

化学结构图

93-25-4
SMILES: COc1ccccc1CC(=O)O

化学属性

Mol. FormulaC9H10O3
Mol. Weight166
Melting Point122-125
Density1.179
TSCAYes
pH:A

别名和识别编码

Chemical NameBenzeneacetic acid, 2-​methoxy-
CAS Number93-25-4
Alfabeta NameMETHOXYPHENYLACETICACID 2-
MDL NumberMFCD00004321
Beilstein Registry Number2047573
PubChem Substance ID7134
EC Number202-231-4
Synonym 2-甲氧基苯乙酸 (±)-2-Propylpiperidine dl-Coniine (±)-Coniine Coniine Piperidine, 2-propyl- (R,S)-2-Propyl-piperidine (±)-2-propyl-piperidine Piperidine, 2-propyl-, (±)-
Chemical Name Translation2-甲氧基苯乙酸
Reaxys-RN2047573
LabNetwork Molecule IDLN00173188
InChIKeyIVEWTCACRDEAOB-UHFFFAOYSA-N
InChIInChI=1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
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分类

  • Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 6RingOnly; 6ring; racemate; 1fragment
  • {SNA} Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beil. 10 ,IV,536
  • FT-IR 1 (2), 151:D / FT-IR 2 (2), 2594:B / FT-NMR 1 (2), 1004:A / IR-Spectra (3), 937:F / NMR-Reference 2 (2), 147:B / RegBook 1 (2), 1751:H / Structure Index 1 , 279:A:8 / Vapor Phase 3 , 1320:A
  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.
  • Short: III/38B Title: Ref

安全信息

Warnings IRRITANT
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。
  • P305+P351+P338
  • 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
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes T Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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 Wear suitable protective clothing 穿戴适当的防护服;
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
UN Number 2810

系列性分类


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