2-Nitrobenzoic Acid Methyl Ester 2-硝基苯甲酸甲酯
CAS 606-27-9 MFCD00007136
化学结构图
SMILES: COC(=O)c1ccccc1[N+](=O)[O-]
化学属性
| Mol. Formula | C8H7NO4 |
|---|---|
| Mol. Weight | 181.15 |
| Density | 1.280 |
| Boiling Point | 104-106 °C at 0.1 mmHg |
| Melting Point | -13 °C |
| Refractive index | 1.5340 to 1.5370 |
| Flash Point | >110°(230°F) |
| TSCA | Yes |
别名和识别编码
| Chemical Name | 2-Nitrobenzoic Acid Methyl Ester |
|---|---|
| MDL Number | MFCD00007136 |
| PubChem Substance ID | 69072 |
| CAS Number | 606-27-9 |
| EC Number | 210-111-8 |
| Reaxys-RN | 2050101 |
| Beilstein Registry Number | 9,372 |
| Synonym | Methyl 2-nitrobenzoate {LY} Methyl 2-nitrobenzoate {} {LY} Methyl 2-nitrobenzoate {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-nit |
| Chemical Name Translation | 2-硝基苯甲酸甲酯 |
| InChIKey | AOXPHVNMBPFOFS-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN01743322 |
| Canonical SMILES | O=C(OC)C1=CC=CC=C1[N+]([O-])=O |
| InChI | InChI=1S/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5H,1H3 |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
- {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
相关文献及参考
- Beil. 9 ,372
- FT-IR 2 (2), 2862:A / FT-IR 1 (2), 304:B / FT-NMR 1 (2), 1266:A / IR-Spectra (3), 1034:A / IR-Spectra (2), 904:H / NMR-Reference 2 (2), 284:C / RegBook 1 (2), 1913:L / Structure Index 1 , 307:B:4 / Vapor Phase 3 , 1373:A
- Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., 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. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the 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 intend to 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 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucle
安全信息
GHS Symbol
其他信息
- TCI Shanghai:2-硝基苯甲酸甲酯 Methyl 2-Nitrobenzoate,>;98.0%(GC)(606-27-9)
- Alfa Aesar:2-硝基苯甲酸甲酯,98+% Methyl 2-nitrobenzoate, 98+%(606-27-9)
- MOL 文件:606-27-9.mol
- Acros Organics:Methyl 2-nitrobenzoate, 99%(606-27-9)
- Sigma Aldrich:606-27-9(sigmaaldrich)
- 2-硝基苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0158 2-硝基苯甲酸甲酯 Methyl 2-Nitrobenzoate 25G 417元 2010/06/21 168430250 2-硝基苯甲酸甲酯 Methyl 2-nitrobenzoate 99% 25 GR 460元 2010/05/25 B23009 2-硝基苯甲酸甲酯, 98+% Methyl 2-nitrobenzoate, 98+% 25g 458元
- 图谱信息:2-硝基苯甲酸甲酯(606-27-9)Raman光谱 2-硝基苯甲酸甲酯(606-27-9)核磁图( 13 CNMR) 2-硝基苯甲酸甲酯(606-27-9)核磁图( 1 HNMR) 2-硝基苯甲酸甲酯(606-27-9)质谱(MS) 2-硝基苯甲酸甲酯(606-27-9)红外图谱(IR1)
