4-Cyanobenzoic Acid Methyl Ester 4-氰基苯甲酸甲酯
CAS 1129-35-7 MFCD00001823
化学结构图
SMILES: COC(=O)c1ccc(C#N)cc1
化学属性
| Mol. Formula | C9H7NO2 |
|---|---|
| Mol. Weight | 161 |
| Melting Point | 65-67 |
| TSCA | No |
| Boiling Point | 142-144 |
| Flash Point | 142-144°C/12mm |
别名和识别编码
| Chemical Name | 4-Cyanobenzoic Acid Methyl Ester |
|---|---|
| CAS Number | 1129-35-7 |
| Alfabeta Name | METHYLCYANOBENZOATE 4- |
| MDL Number | MFCD00001823 |
| Synonym | 4-CYAN-BENZOIC ACID-METHYL ESTER 4-CYANOBENZOIC ACID METHYL ESTER 4-Cyanbenzoesäuremethylester 4-Cyano-benzoic acid methyl ester 4-Cyanobenzoic Acid Methyl Ester 4-Cyanobenzoic acid methyl 4-氰基苯甲酸甲酯 Cyanbenzoicacidmethylester LABOTEST-BB LT00159784 METHYL 4-CYANOBENZOATE METHYL P-CYANOBENZOATE Methyl 4-cyanobenzoate 98% Methyl p-Cyanobenzoate P-CYANOBENZOIC ACID METHYL ESTER RARECHEM AL BF 0074 SPECS AC-907/25014377 p-Cyanobenzoic Acid Methyl Ester |
| EC Number | 214-443-4 |
| Beilstein Registry Number | 1866980 |
| PubChem Substance ID | 87566149 |
| Reaxys-RN | 1866980 |
| Chemical Name Translation | 4-氰基苯甲酸甲酯 |
| LabNetwork Molecule ID | LN00009185 |
| InChI | InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3 |
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分类
- Intermediates
- Aromatics
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
- {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
相关文献及参考
- 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 nucleus 77Se. More nuclei will be presented later.
- 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 Keywor
安全信息
- S22 Do not breathe dust 不要吸入粉尘；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- 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；
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- H301 Toxic if swallowed 吞食有毒
- H302 Harmful if swallowed 吞食有害
- H302+H312+H332
- H311 Toxic in contact with skin 皮肤接触中毒
- H312 Harmful in contact with skin 皮肤接触有害
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H331 Toxic if inhaled 吸入中毒
- H332 Harmful if inhaled 吸入有害
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- 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。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- 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+P310
- P301+P312
- P301+P312+P330
- P302+P352
- P302+P352+P312+P362+P364
- P304+P312
- P304+P340
- P304+P340+P312
- P305+P351+P338
- P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
- P330 Rinse mouth. 漱口
- P332+P313
- P337+P313
- P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
- 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
- P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol
其他信息
- 对氰基苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1119 4-氰基苯甲酸甲酯 Methyl 4-Cyanobenzoate 25G 805元 2014/06/02 C1119 4-氰基苯甲酸甲酯 Methyl 4-Cyanobenzoate 250G 4820元 2010/05/25 L08365 4-氰基苯甲酸甲酯, 99% Methyl 4-cyanobenzoate, 99% 25g 941元
- 用途一:对氰基苯甲酸甲酯（1129-35-7）用于有机合成，液晶高分子合成，医药中间体。
- TCI Shanghai:4-氰基苯甲酸甲酯 Methyl 4-Cyanobenzoate,>;95.0%(GC)(1129-35-7)
- MOL 文件:1129-35-7.mol
- 外观:白色晶体。
- 上游原料:盐酸 --> 甲醇 --> 乙醚 --> 甲醇钠 --> 对苯二腈
- Alfa Aesar:4-氰基苯甲酸甲酯,99% Methyl 4-cyanobenzoate, 99%(1129-35-7)
- Sigma Aldrich:1129-35-7(sigmaaldrich)
- MSDS 信息:Methyl 4-cyanobenzoate(1129-35-7).msds
- Hazard Note:Harmful
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