2-Chloro-4-fluoro-5-nitrophenol CAS 84478-75-1

Introduction：Basic information about 2-Chloro-4-fluoro-5-nitrophenol CAS 84478-75-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

2-Chloro-4-fluoro-5-nitrophenol Basic information

• Product Name: 2-Chloro-4-fluoro-5-nitrophenol
• Synonyms: 2-Chloro-4-fluoro-5-nitropheno;2-CHLORO-4-FLUORO-5-NITROBENZENOL;2-CHLORO-4-FLUORO-5-NITROPHENOL;4-Chloro-2-fluoro-5-hydroxynitrobenzene;2-Chloro-4-fluoro-5-nitrophenol >Phenol, 2-chloro-4-fluoro-5-nitro-;2-Chloro-4-fluoro-5-nitrophenol ISO 9001：2015 REACH
• CAS: 84478-75-1
• MF: C6H3ClFNO3
• MW: 191.54
• EINECS: 671-719-0
• Product Categories: Phenyls & Phenyl-Het;Phenol&Thiophenol&Mercaptan;API intermediates;Phenyls & Phenyl-Het
• Mol File: 84478-75-1.mol

2-Chloro-4-fluoro-5-nitrophenol Chemical Properties

• Melting point: 105-108°C
• Boiling point: 298.7±40.0 °C(Predicted)
• density: 1.653±0.06 g/cm3(Predicted)
• storage temp.: Inert atmosphere,Room Temperature
• solubility: soluble in Methanol
• form: powder to crystal
• pka: 6.58±0.24(Predicted)
• color: Light orange to Yellow to Green
• InChI: InChI=1S/C6H3ClFNO3/c7-3-1-4(8)5(9(11)12)2-6(3)10/h1-2,10H
• InChIKey: NAWVMCKMQMJQMF-UHFFFAOYSA-N
• SMILES: C1(O)=CC([N+]([O-])=O)=C(F)C=C1Cl
• CAS DataBase Reference: 84478-75-1(CAS DataBase Reference)

Safety Information

• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• HS Code: 2908990000

2-Chloro-4-fluoro-5-nitrophenol Usage And Synthesis

Synthesis

84478-89-7

84478-75-1

2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate (120 g, 0.48 mol) was mixed with sodium hydroxide (22.7 g, 0.57 mol) in water (300 mL) and the reaction was carried out at reflux for 4 hrs. Upon completion of the reaction, the insoluble solids were removed by filtration and the filtrate was acidified with dilute hydrochloric acid to pH < 7. Subsequently, the precipitated solid product was collected by filtration, washed with water and dried to afford 2-chloro-4-fluoro-5-nitrophenol (90 g, 98% yield). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 11.18 (s, 1H), 8.10 (d, J=10.4 Hz, 1H), 7.62 (d, J=7.2 Hz, 1H); mass spectrum (ESI) m/z: 192.1 ([M+H]+).

References

[1] Patent: US2008/90856, 2008, A1. Location in patent: Page/Page column 38
[2] Patent: WO2010/51373, 2010, A1. Location in patent: Page/Page column 75
[3] Patent: WO2013/36232, 2013, A2. Location in patent: Paragraph 00252
[4] Organic Process Research and Development, 2014, vol. 18, # 1, p. 122 - 134
[5] Patent: US2008/234267, 2008, A1. Location in patent: Page/Page column 15

2-Chloro-4-fluoro-5-nitrophenol Preparation Products And Raw materials

• Raw materials: 2-chloro-4-fluoro-5-nitrophenyl ethyl carbonate-->2-Chloro-4-fluorophenol-->2-chloro-4-fluoro-methoxycarbonyloxybenzene-->Carbonic acid, 2-chloro-4-fluorophenyl ethyl ester-->2-chloro-4-fluoro-5-nitrophenyl methyl carbonate-->Hydrochloric acid-->2-Nitrophenol
• Preparation Products: FLUMICLORAC-PENTYL-->3-Amino-4-fluorophenol-->5-Chloro-4-methoxy-2-nitro-phenol