Usually used as a target compound in the study on measurement of methylnitrophenol concentrations and stable isotope ratios in the atmospheric particulate matter,and also used as starting material in the synthesis of 2-bromo-4-nitro-6-methylphenol. Usually used as a target compound in the study on measurement of methylnitrophenol concentrations and stable isotope ratios in the atmospheric particulate matter,and also used as starting material in the synthesis of 2-bromo-4-nitro-6-methylphenol.
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2-methyl-4-nitrophenol
Dangerous GoodsCAS number:99-53-6 molecular formula:C7H7NO3
overview
compound introduction
Specs
| Chinese alias | 4-硝基邻甲酚 | 2-羟基-5-硝基甲苯 | ||
| English alias | 4-06-00-02011 (Beilstein Handbook Reference) | AS-13464 | BP-12492 | N0670 | FT-0631522 | 4-Nitro-o-cresol | EINECS 202-763-7 | 2-METHYL-4-NITROPHENOL | 4-Nitro-2-methylphenol | EN300-54487 | MFCD01734013 | Q27251115 | Z415740536 | UNII-105DL35HIB | W-204 | ||
| CAS number | 99-53-6 | molecular formula | C7H7NO3 |
| molecular weight | 153.14 | Exact mass | ≥98% |
| PSA | 66.1 | logp | 1.2 |
numbering system
| CAS | 99-53-6 |
| UNII | 105DL35HIB |
| Wikidata | Q27251115 |
| ChEMBL ID | CHEMBL107610 |
| NSC Number | NSC Number: NSC1022 |
| PubChem CID | 7442 |
| Nikkaji Number | J67.717E |
| DSSTox Substance ID | DTXSID4073889 |
| European Community (EC) Number | 202-763-7 |
| PubChem Reference Collection SID | 500731556 |
physicochemical properties
| XLogP3 | 1.2 |
| 复杂性 | 154 |
| Exact Mass | 153.042593085 |
| 形式电荷 | 0 |
| 重原子计数 | 11 |
| Molecular Weight | 153.14 |
| Monoisotopic Mass | 153.042593085 |
| 可旋转键计数 | 0 |
| 氢键供体计数 | 1 |
| 氢键受体计数 | 3 |
| Kovats 保留指数 | 半标准非极性:1665 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 66.1 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 0 |
Safety information
危害类别和分类:
STOT SE 3 (97.5%)
Production methods and uses
purpose
工业应用参考:
工业分类参考:计算机、通信和其他电子设备制造业。
应用场景参考:在环境监测、水资源分析、矿产检测、农残筛查和大气污染研究等方向具备潜在应用空间 。
作用参考:在电池、电子、信息材料和高端制造等技术方向,常被视为可拓展的功能材料或中间材料 。
选型提示:面向研发或检测用途时,建议同步评估品牌一致性、批次稳定性和后续技术支持能力 。
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upstream information
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downstream information
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MSDS
Found 1 shareMSDS
99-53-6 | 2-Methyl-4-nitrophenol.pdf





