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purum, ≥95%(GC) purum for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=C(C(=CC(=C1Cl)Cl)Cl)O |
|---|---|
| IUPAC Name | 2,4,5-trichlorophenol |
| InChIKey | LHJGJYXLEPZJPM-UHFFFAOYSA-N |
| INCHI | 1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H |
| Isomeric SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)O |
| WGK Germany | 3 |
| RTECS | SN1400000 |
| UN Number | 2020 |
| Packing Group | III |
| Molecular Weight | 197.45 |
| Beilstein | 607569 |
| Reaxy-Rn | 607569 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Halophenols |
| Intermediate Tree Nodes | Chlorophenols |
| Direct Parent | P-chlorophenols |
| Alternative Parents | O-chlorophenols M-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 4-chlorophenol - 2-chlorophenol - 3-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-chlorophenols. These are chlorophenols carrying a iodine at the C4 position of the benzene ring. |
| External Descriptors | trichlorophenol |
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| Flash Point(°F) | 186.8 °F |
|---|---|
| Flash Point(°C) | 133 °C |
| Boil Point(°C) | 248°C |
| Melt Point(°C) | 67-69°C |
| Molecular Weight | 197.400 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 195.925 Da |
| Monoisotopic Mass | 195.925 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 120.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Xiaowan Zhang, Dan Li, Mengyuan Li, Peige Qin, Shiping Zhu, Yanmei Gao, Mengyao Mu, Ning Zhang, Youmei Wang, Minghua Lu. (2022) Flower-like Co3O4/C3N5 composite as solid-phase microextraction coating for high-efficiency adsorption and preconcentration of polycyclic aromatic hydrocarbons and polychlorinated biphenyls in water. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2022.136293] |
| 2. Ge Kun, Li Yonghui, Wu Qiyue, Gu Ying. (2022) Simultaneous and rapid detection of polychlorinated phenols in water samples by surface-enhanced Raman spectroscopy combined with principal component analysis. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 414 (7): (2385-2395). [PMID:35006306] [10.1007/s00216-022-03876-0] |
| 3. Hongji Li, Yan Wang, Yue Li, Yu Qiao, Lihui Liu, Qingwei Wang, Guangbo Che. (2019) High-sensitive molecularly imprinted sensor with multilayer nanocomposite for 2,6-dichlorophenol detection based on surface-enhanced Raman scattering. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:31740121] [10.1016/j.saa.2019.117784] |
| 4. Wei Xiao, Yu Miaomiao, Li Chen, Gong Xinghui, Qin Fang, Wang Zhenhong. (2018) Magnetic nanoparticles coated with a molecularly imprinted polymer doped with manganese-doped ZnS quantum dots for the determination of 2,4,6-trichlorophenol. MICROCHIMICA ACTA, 185 (4): (1-6). [PMID:29594667] [10.1007/s00604-018-2742-5] |
| 5. Jianming Pan, Jialu Luo, Jun Cao, Jinxing Liu, Wei Huang, Wenli Zhang, Lili Yang. (2016) Competitive adsorption of three phenolic compounds to hydrophilic urea-formaldehyde macroporous foams derived from lignin-based Pickering HIPEs template. RSC Advances, 6 (96): (93894-93904). [PMID:] [10.1039/C6RA20919J] |
| 6. Mei-Lan Chen, Jian-Qing Min, Mei-Qiang Cai, Sheng-Dong Pan, Mi-Cong Jin. (2016) Rapid analysis of six trace trichlorophenols in seawater by magnetic micro-solid-phase extraction and liquid chromatography with tandem mass spectrometry. JOURNAL OF SEPARATION SCIENCE, 39 (12): (2396-2405). [PMID:27121535] [10.1002/jssc.201600204] |
| 7. Xiao Wei, Zhiping Zhou, Tongfan Hao, Hongji Li, Yanzhuo Zhu, Lin Gao, Yongsheng Yan. (2015) A novel molecularly imprinted polymer thin film at surface of ZnO nanorods for selective fluorescence detection of para-nitrophenol. RSC Advances, 5 (55): (44088-44095). [PMID:] [10.1039/C5RA05093F] |
| 8. Xiao Wei, Zhiping Zhou, Jiangdong Dai, Tongfan Hao, Hongji Li, Yeqing Xu, Lin Gao, Jianming Pan, Chunxiang Li, Yongsheng Yan. (2014) Composites of surface imprinting polymer capped Mn-doped ZnS quantum dots for room-temperature phosphorescence probing of 2,4,5-trichlorophenol. JOURNAL OF LUMINESCENCE, [PMID:] [10.1016/j.jlumin.2014.07.001] |
| 9. Yuhang Xing, Ruyi Li, Lu Xue, Mianhong Chen, Xuli Lu, Zhihao Duan, Wei Zhou, Jihua Li. (2022) Double emulsion (W/O/W) gel stabilised by polyglycerol polyricinoleate and calcium caseinate as mangiferin carrier: insights on formulation and stability properties. INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY, 57 (8): (5268-5279). [PMID:] [10.1111/ijfs.15856] |
| 10. Jianming Pan, Yijie Yin, Yunlei Zhang, Runrun Wu, Xiaohui Dai, Yongsheng Yan. (2015) Thermoresponsive and magnetic molecularly imprinted polymers based on iron oxide encapsulated carbon nanotubes as a matrix for the selective adsorption and controlled release of 2,4,5-trichlorophenol. JOURNAL OF APPLIED POLYMER SCIENCE, 132 (27): [PMID:] [10.1002/app.42087] |
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