3-Cyanobenzoic Acid 3-氰基苯甲酸
CAS 1877-72-1 MFCD00002486
化学结构图
SMILES: N#Cc1cccc(C(=O)O)c1
化学属性
| Mol. Formula | C8H5NO2 |
|---|---|
| Mol. Weight | 147.13 |
| Melting Point | 220-224 |
| TSCA | No |
| Density | 1.422 |
| Appearance | 类白色固体，熔点 217-222℃ |
| pH | :A |
别名和识别编码
| Chemical Name | 3-Cyanobenzoic Acid |
|---|---|
| Synonym | m-Carboxybenzonitrile 3-Cyanobenzoic acid M-CYANOBENZOIC ACID 3-Cyanbenzoesäure 3-Cyanobenzoic acid, 98+% Benzoic acid, 3-cyano- (9CI) Benzoic acid, 3-cyano- 3-CARBOXYBENZONITRILE m-Carboxybenzonitrile RARECHEM AL BE 0051 m-Cyanobenzoic acid 3-氰基苯甲酸, 98+% m-Cyanobenzoic acid 3-cyano-benzoic acid Benzoic acid, m-cyano- 3-Cyano Benzoic Acid m-Cyano Benzoic Acid 间氰基苯甲酸(3-氰基苯甲酸) 3-Carboxybenzonitrile Isophthalsäuremononitril 3-氰基苯甲酸 3-CYANOBENZOIC ACID 3-腈基苯甲酸 Benzoic acid, m-cyano- 间氰基苯甲酸 3-CYANOBENZOIC ACID 99+% ISOPHTHALIC ACID MONONITRILE |
| Beilstein Registry Number | 1862566 |
| PubChem Substance ID | 15875 |
| CAS Number | 1877-72-1 |
| EC Number | 217-511-1 |
| MDL Number | MFCD00002486 |
| Reaxys-RN | 1862566 |
| Alfabeta Name | CYANOBENZOICACID 3- |
| Chemical Name Translation | 3-氰基苯甲酸 |
| LabNetwork Molecule ID | LN00180819 |
| InChI | InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11) |
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分类
- Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
- {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
相关文献及参考
- Beil. 9 ,IV,3296
- Corp MSDS 1 (1), 934:D / FT-IR 2 (2), 3143:C / FT-IR 1 (2), 448:B / FT-NMR 1 (2), 1516:C / IR-Spectra (3), 1130:H / IR-Spectra (2), 984:H / NMR-Reference 2 (2), 422:B / RegBook 1 (2), 2127:H / Structure Index 1 , 336:A:1
- 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
安全信息
- 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.....
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- P332+P313
- P305+P351+P338+P337+P313
- P301+P312+P330
- 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。
- P281 Use personal protective equipment as required. 使用所需的个人防护装备。
GHS Symbol
- 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
- H302 Harmful if swallowed 吞食有害
- 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；
- 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；
- 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
其他信息
- Alfa Aesar:3-氰基苯甲酸,98+%% 3-Cyanobenzoic acid, 98+%(1877-72-1)
- MSDS 信息:m-Cyanobenzoic acid(1877-72-1).msds
- 下游产品:3-氰基苯甲酰氯 --> 异氰酸间氰基苯酯
- 3-氰基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0446 3-氰基苯甲酸 3-Cyanobenzoic Acid 25G 1420元 2014/06/02 C0446 3-氰基苯甲酸 3-Cyanobenzoic Acid 5G 489元 2010/06/21 169132500 3-氰基苯甲酸 3-Cyanobenzoic acid 98% 250 GR 14082元
- TCI Shanghai:3-氰基苯甲酸 3-Cyanobenzoic Acid,>;98.0%(T)(1877-72-1)
- MOL 文件:1877-72-1.mol
- 图谱信息:3-氰基苯甲酸(1877-72-1)核磁图( 13 CNMR) 3-氰基苯甲酸(1877-72-1)质谱(MS) 3-氰基苯甲酸(1877-72-1)红外图谱(IR1) 3-氰基苯甲酸(1877-72-1)红外图谱(IR2) 3-氰基苯甲酸(1877-72-1)Raman光谱 3-氰基苯甲酸(1877-72-1)核磁图( 1 HNMR)
- 用途一:用作有机合成中间体
- 上游原料:高锰酸钾 --> 间甲基苯腈
- Sigma Aldrich:1877-72-1(sigmaaldrich)
- Acros Organics:3-氰基苯甲酸 3-Cyanobenzoic acid, 98%(1877-72-1)
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