计算溶液所需的质量、体积或浓度。
| 活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
|---|
| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| N105604-100ml |
100ml |
现货 ![]() |
| |
| N105604-500ml |
500ml |
现货 ![]() |
|
| 别名 | 3-硝基甲苯 |
|---|---|
| 英文别名 | 29A9W826KQ | SMR000677943 | UN 1664 | UNII-29A9W826KQ | m-Nitrotoluene, liquid or solid | N0274 | BDBM50008563 | meta-Nitrotoluol | NCGC00090732-04 | SCHEMBL19334362 | Tox21_202435 | 3-Nitrotoluene, 99% | DTXSID5021831 | NCGC00090732-03 | Nitrotoluene, m- |
| 规格或纯度 | 化学纯(CP) |
| 英文名称 | m-Nitrotoluene |
| 应用 | 用作有机合成,作染料,医药,塑料,农药,彩色显示剂及合成纤维助剂。 |
| 运输条件 | 常规运输 |
| 产品介绍 |
能随水蒸气挥发。能与乙醇和乙醚混溶,溶于苯,极微溶于水,低毒,半数致死量(大鼠,经口)1072mg/kg。有刺激性。 用作有机合成,作染料,医药,塑料,农药,彩色显示剂及合成纤维助剂。 |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| EC号 | 202-728-6 |
|---|---|
| 分子类型 | 小分子 |
| IUPAC Name | 1-methyl-3-nitrobenzene |
| INCHI | InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3 |
| InChi Key | QZYHIOPPLUPUJF-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC(=CC=C1)[N+](=O)[O-] |
| Isomeric SMILES | CC1=CC(=CC=C1)[N+](=O)[O-] |
| WGK Germany | 2 |
| RTECS | XT2975000 |
| PubChem CID | 7422 |
| UN Number | 1664 |
| Packing Group | II |
| 分子量 | 137.14 |
| Beilstein号 | 1906910 |
| Reaxy-Rn | 1906910 |
| 溶解性 | 不溶于水;水中溶解度:0.5 g/l 20 °C;可混溶于酒精、乙醚;可溶于苯 |
|---|---|
| 密度 | 1.157 |
| 凝固点 | 16 °C |
| 折光率 | 1.54 |
| 闪点(℉) | 208 °F |
| 闪点(℃) | 98 °C |
| 沸点 | 232°C |
| 熔点 | 16 °C |
| 分子量 | 137.140 g/mol |
| XLogP3 | 2.400 |
| 氢键供体数Hydrogen Bond Donor Count | 0 |
| 氢键受体数Hydrogen Bond Acceptor Count | 2 |
| 可旋转键计数Rotatable Bond Count | 0 |
| 精确质量Exact Mass | 137.048 Da |
| 单同位素质量Monoisotopic Mass | 137.048 Da |
| 拓扑极表面积Topological Polar Surface Area | 45.800 Ų |
| 重原子数Heavy Atom Count | 10 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 130.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| 一般危化品 | 一般危化品 |
|---|---|
| 象形图 | GHS06, GHS08, GHS09 |
| 信号词 | Warning |
| 危险声明 |
H301: 吞咽会中毒 H311: 皮肤接触有毒 H331: 吸入会中毒 H373: 通过长时间或反复暴露对器官造成损害 H411: 对水生生物有毒并具有长期持续影响 H302: 吞食有害 |
| 预防措施声明 |
P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P273: 避免释放到环境中。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P302+P352: 如皮肤沾染:用水充分清洗。 P321: 特殊处理(请参阅此标签上的...)。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 P271: 仅在室外或通风良好的地方使用。 P270: 使用本产品时,请勿进食、饮水或吸烟。 P304+P340: 如误吸入:将人转移到空气新鲜处,保持呼吸舒适体位。 P403+P233: 存放在通风良好的地方。保持容器密闭。 P391: 收集溢出物 P330: 漱口 P361+P364: 立即脱掉所有沾染的衣服,清洗后方可重新使用。 P301+P316: 如果吞咽:立即寻求紧急医疗救助。 P301+P317: 如果被吞咽:请寻求医疗帮助。 P316: 立即寻求紧急医疗救助。 P319: 如果你感到不适,请寻求医疗帮助。 |
| WGK Germany | 2 |
| RTECS | XT2975000 |
| Reaxy-Rn | 1906910 |
| Class | 6.1 |
| Merck Index | 6650 |
| 个人防护装备 | Eyeshields,Faceshields,full-face respirator (US),Gloves,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter |
| Density (20°C) | 1.153-1.158 |
|---|---|
| Acidity(as H+)/(mmol/100g) | 0-0.16 |
| Refractive index n20/D | 1.546-1.548 |
| Appearance(N105604) | Colorless to Yellow Liquid |
| Boiling range,228.0 - 232.0℃ | Conforms |
| Solubility in EtOH,clear,50mg/ml | pass |
| 1. Song Jing, Cui Yongjin, Wang Yujun, Wang Kai, Deng Jian, Luo Guangsheng. (2023) Accurate determination of the kinetics of toluene nitration in a liquid–liquid microflow system. Journal of Flow Chemistry, 13 (3): (311-323). [10.1007/s41981-023-00271-3] |
| 2. Jiale Wu, Liguo Wang, Shuang Xu, Yan Cao, Ziqiang Han, Huiquan Li. (2023) Sequential hydrogenation of nitroaromatics to alicyclic amines via highly-dispersed Ru–Pd nanoparticles anchored on air-exfoliated C3N4 nanosheets. RSC Advances, 13 (3): (2024-2035). [PMID:36712606] [10.1039/D2RA07612H] |
| 3. Guo Pan, Zhan Yuzhong, Yang Yanliang, Lu Tianliang. (2022) Preparation of COFs Supported Pd as an Efficient Catalyst for the Hydrogenation of Aromatic Nitro. CATALYSIS LETTERS, 152 (12): (3725-3732). [10.1007/s10562-022-03941-4] |
| 4. Hongbo Yu, Chunzheng Wu, Shiwei Wang, Tong Li, Hongfeng Yin. (2021) Transition Metal Oxide-Modified Ir Nanoparticles Supported on SBA-15 Silica for Selective Hydrogenation of Substituted Nitroaromatics. ACS Applied Nano Materials, 4 (7): (7213–7220). [10.1021/acsanm.1c01164] |
| 5. Binbin Feng, Qionghao Xu, Xiaoxue Wu, Chunlin Ye, Yanghe Fu, De-Li Chen, Fumin Zhang, Weidong Zhu. (2021) MOF-derived N-doped carbon composites embedded with Fe/Fe3C nanoparticles as highly chemoselective and stable catalysts for catalytic transfer hydrogenation of nitroarenes. APPLIED SURFACE SCIENCE, 557 (149837). [10.1016/j.apsusc.2021.149837] |
| 6. Xiaoliang Ren, Shufang Wang, Xiaoshu Ding, Dongsheng Zhang, Yanji Wang. (2021) Preparation and catalytic performance of active metal sintered membrane reactor anchored with Pt atoms. RSC Advances, 11 (5): (2848-2853). [PMID:35424253] [10.1039/D0RA10175C] |
| 7. Zhang Qianchun, Liang Junyi, Zhao Li, Wang Yan, Zheng Yuguo, Wu Yun, Jiang Li. (2020) Synthesis of Novel Fluorescent Carbon Quantum Dots From Rosa roxburghii for Rapid and Highly Selective Detection of o-nitrophenol and Cellular Imaging. Frontiers in Chemistry, 8 [PMID:32850674] [10.3389/fchem.2020.00665] |
| 8. Xuexi Chen, Jiahui Shen, Mei Wan, Ming Gao, Lina Yue. (2020) Comparative study on flame retardancy of multiple solid super acids-containing epoxy resin composites. Materials Today Communications, 25 (101436). [10.1016/j.mtcomm.2020.101436] |
| 9. Qiuyang Zhang, Caiyun Xu, Hongfeng Yin, Shenghu Zhou. (2019) Enhanced Catalytic Hydrogenation Performance of Rh-Co2O3 Heteroaggregate Nanostructures by in Situ Transformation of Rh@Co Core–Shell Nanoparticles. ACS Omega, 4 (24): (20829–20837). [PMID:31858069] [10.1021/acsomega.9b03340] |
| 10. Jingyun Huang, Bo Yang, Jinian Shu, Zuojian Zhang, Zhen Li, Kui Jiang. (2019) Kinetic Understanding of the Ultrahigh Ionization Efficiencies (up to 28%) of Excited-State CH2Cl2-Induced Associative Ionization: A Case Study with Nitro Compounds. ANALYTICAL CHEMISTRY, 91 (9): (5605–5612). [PMID:30841695] [10.1021/acs.analchem.8b04813] |
| 11. Hongbo Yu, Weiqiang Tang, Kaijie Li, Shuangliang Zhao, Hongfeng Yin, Shenghu Zhou. (2019) Enhanced Catalytic Performance for Hydrogenation of Substituted Nitroaromatics over Ir-Based Bimetallic Nanocatalysts. ACS Applied Materials & Interfaces, 11 (7): (6958–6969). [PMID:30674185] [10.1021/acsami.8b19056] |
| 12. YaoYao Qu, Guojuan Ren, Liying Yu, Baoya Zhu, Fang Chai, Lihua Chen. (2019) The carbon dots as colorimetric and fluorescent dual-readout probe for 2-nitrophenol and 4-nitrophenol detection. JOURNAL OF LUMINESCENCE, 207 (589). [10.1016/j.jlumin.2018.12.017] |
| 13. Dongxing Zhen, Gaohong He, Xinlong Xu, Xiaoming Yan, Naixu Du, Xue Gong, Tiantian Li, Yan Dai, Xuemei Wu. (2018) Simultaneous enhancement of proton conductivity and methanol resistance of sulfonated poly(phthalazinone ether sulfone ketone)/superacid sulfated zirconia composite membranes for direct methanol fuel cells. JOURNAL OF APPLIED POLYMER SCIENCE, 135 (42): (46758). [10.1002/app.46758] |
| 14. Shiqiao Wang, Guohan Sun, Zuanguang Chen, Yawen Liang, Qing Zhou, Yufang Pan, Haiyun Zhai. (2018) Constructing a novel composite of molecularly imprinted polymer-coated AuNPs electrochemical sensor for the determination of 3-nitrotyrosine. ELECTROCHIMICA ACTA, 259 (893). [10.1016/j.electacta.2017.11.033] |
| 15. Weijun Kong, Xiaoning Zhao, Qiuju Zhu, Lingfeng Gao, Hua Cui. (2017) Highly Chemiluminescent Magnetic Beads for Label-Free Sensing of 2,4,6-Trinitrotoluene. ANALYTICAL CHEMISTRY, 89 (13): (7145–7151). [PMID:28551993] [10.1021/acs.analchem.7b01111] |
| 16. Miaomiao Liu, Weiqiang Tang, Zhaohui Xie, Hongbo Yu, Hongfeng Yin, Yisheng Xu, Shuangliang Zhao, Shenghu Zhou. (2017) Design of Highly Efficient Pt-SnO2 Hydrogenation Nanocatalysts using Pt@Sn Core–Shell Nanoparticles. ACS Catalysis, 7 (3): (1583–1591). [10.1021/acscatal.6b03109] |
| 17. Ying Duan, Min Zheng, Dongmi Li, Dongsheng Deng, Cuicui Wu, Yanliang Yang. (2017) Synthesis of Pd/SBA-15 catalyst employing surface-bonded vinyl as a reductant and its application in the hydrogenation of nitroarenes. RSC Advances, 7 (6): (3443-3449). [10.1039/C6RA26811K] |
| 18. Fei Qu, Ping Chen, Shuyun Zhu, Jinmao You. (2017) High selectivity of colorimetric detection of p-nitrophenol based on Ag nanoclusters. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 171 (449). [PMID:27579789] [10.1016/j.saa.2016.08.043] |
| 19. Xiaohong Yang, Changxia Li, Meiling Qi, Liangti Qu. (2016) Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers. JOURNAL OF CHROMATOGRAPHY A, 1460 (173). [PMID:27423773] [10.1016/j.chroma.2016.07.029] |
| 20. Zhang Diming, Zhang Qian, Lu Yanli, Yao Yao, Li Shuang, Jiang Jing, Liu Gang Logan, Liu Qingjun. (2016) Peptide Functionalized Nanoplasmonic Sensor for Explosive Detection. Nano-Micro Letters, 8 (1): (36-43). [PMID:30464992] [10.1007/s40820-015-0059-z] |
| 21. Kun Zhang, Ji Ji, Yixin Li, Baohong Liu. (2014) Interfacial Self-Assembled Functional Nanoparticle Array: A Facile Surface-Enhanced Raman Scattering Sensor for Specific Detection of Trace Analytes. ANALYTICAL CHEMISTRY, 86 (13): (6660–6665). [PMID:24915488] [10.1021/ac501383x] |
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| 28. Jiale Wu, Liguo Wang, Shuang Xu, Yan Cao, Ziqiang Han, Huiquan Li. (2023) Sequential hydrogenation of nitroaromatics to alicyclic amines via highly-dispersed Ru–Pd nanoparticles anchored on air-exfoliated C3N4 nanosheets. RSC Advances, 13 (3): (2024-2035). [PMID:36712606] [10.1039/D2RA07612H] |
| 29. Guo Pan, Zhan Yuzhong, Yang Yanliang, Lu Tianliang. (2022) Preparation of COFs Supported Pd as an Efficient Catalyst for the Hydrogenation of Aromatic Nitro. CATALYSIS LETTERS, 152 (12): (3725-3732). [10.1007/s10562-022-03941-4] |
| 30. Hongbo Yu, Chunzheng Wu, Shiwei Wang, Tong Li, Hongfeng Yin. (2021) Transition Metal Oxide-Modified Ir Nanoparticles Supported on SBA-15 Silica for Selective Hydrogenation of Substituted Nitroaromatics. ACS Applied Nano Materials, 4 (7): (7213–7220). [10.1021/acsanm.1c01164] |
| 31. Binbin Feng, Qionghao Xu, Xiaoxue Wu, Chunlin Ye, Yanghe Fu, De-Li Chen, Fumin Zhang, Weidong Zhu. (2021) MOF-derived N-doped carbon composites embedded with Fe/Fe3C nanoparticles as highly chemoselective and stable catalysts for catalytic transfer hydrogenation of nitroarenes. APPLIED SURFACE SCIENCE, 557 (149837). [10.1016/j.apsusc.2021.149837] |
| 32. Xiaoliang Ren, Shufang Wang, Xiaoshu Ding, Dongsheng Zhang, Yanji Wang. (2021) Preparation and catalytic performance of active metal sintered membrane reactor anchored with Pt atoms. RSC Advances, 11 (5): (2848-2853). [PMID:35424253] [10.1039/D0RA10175C] |
| 33. Zhang Qianchun, Liang Junyi, Zhao Li, Wang Yan, Zheng Yuguo, Wu Yun, Jiang Li. (2020) Synthesis of Novel Fluorescent Carbon Quantum Dots From Rosa roxburghii for Rapid and Highly Selective Detection of o-nitrophenol and Cellular Imaging. Frontiers in Chemistry, 8 [PMID:32850674] [10.3389/fchem.2020.00665] |
| 34. Xuexi Chen, Jiahui Shen, Mei Wan, Ming Gao, Lina Yue. (2020) Comparative study on flame retardancy of multiple solid super acids-containing epoxy resin composites. Materials Today Communications, 25 (101436). [10.1016/j.mtcomm.2020.101436] |
| 35. Qiuyang Zhang, Caiyun Xu, Hongfeng Yin, Shenghu Zhou. (2019) Enhanced Catalytic Hydrogenation Performance of Rh-Co2O3 Heteroaggregate Nanostructures by in Situ Transformation of Rh@Co Core–Shell Nanoparticles. ACS Omega, 4 (24): (20829–20837). [PMID:31858069] [10.1021/acsomega.9b03340] |
| 36. Jingyun Huang, Bo Yang, Jinian Shu, Zuojian Zhang, Zhen Li, Kui Jiang. (2019) Kinetic Understanding of the Ultrahigh Ionization Efficiencies (up to 28%) of Excited-State CH2Cl2-Induced Associative Ionization: A Case Study with Nitro Compounds. ANALYTICAL CHEMISTRY, 91 (9): (5605–5612). [PMID:30841695] [10.1021/acs.analchem.8b04813] |
| 37. Hongbo Yu, Weiqiang Tang, Kaijie Li, Shuangliang Zhao, Hongfeng Yin, Shenghu Zhou. (2019) Enhanced Catalytic Performance for Hydrogenation of Substituted Nitroaromatics over Ir-Based Bimetallic Nanocatalysts. ACS Applied Materials & Interfaces, 11 (7): (6958–6969). [PMID:30674185] [10.1021/acsami.8b19056] |
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