| Identification | More | [Name]
2-Fluoro-4-nitroanisole | [CAS]
455-93-6 | [Synonyms]
2-FLUORO-4-NITROANISOLE
2-Fluoro-4-nitro-methoxybenzene
2-fluoro-1-methoxy-4-nitrobenzene
2-Fluoro-4-nitroanisole 98%
2-Fluoro-4-nitroanisole98%
1-Methoxy-2-fluoro-4-nitrobenzene
2-Methoxy-5-nitro-1-fluorobenzene | [Molecular Formula]
C7H6FNO3 | [MDL Number]
MFCD00061095 | [Molecular Weight]
171.13 | [MOL File]
455-93-6.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light yellow crystalline powder | [Melting point ]
103-105 °C (lit.) | [Boiling point ]
277.2±20.0 °C(Predicted) | [density ]
1.321±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Toluene | [form ]
Crystalline Powder | [color ]
White to light yellow | [InChI]
1S/C7H6FNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3 | [InChIKey]
XGMVTXUXZUPGGY-UHFFFAOYSA-N | [SMILES]
COc1ccc(cc1F)[N+]([O-])=O | [CAS DataBase Reference]
455-93-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29093090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light yellow crystalline powder | [Uses]
2-Fluoro-4-nitroanisole was employed as alternative biochemical photoprobe for proteins. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 63, p. 8448, 1998 DOI: 10.1021/jo981557o | [General Description]
2-Fluoro-4-nitroanisole is a 2-halo-4-nitroanisole and its photoreaction with the nucleophiles hydroxide ion and pyridine has been investigated. Mechanism of photoreaction of 2-fluoro-4-nitroanisole with n-hexylamine has been investigated. | [Synthesis]
Step 4: Preparation of 3-fluoro-4-methoxyaniline (8) Sodium metal (1.45 g, 63 mmol) was slowly added to methanol (100 mL) pre-cooled to 10 °C under nitrogen protection while stirring. After the sodium metal was completely dissolved, 3,4-difluoronitrobenzene (6) (10 g, 63 mmol) was added to the reaction system and stirred continuously for 2-3 hours at room temperature. Upon completion of the reaction, the mixture was concentrated under vacuum and subsequently poured into ice water (100 mL). The pH of the mixture was adjusted to neutral (~7) by dropwise addition of 2N HCl solution. The precipitated solid was collected by filtration, washed with water, and dried under vacuum to afford the target product 2-fluoro-4-nitroanisole (7) (9.75 g, 91% yield). The melting point of the product was 102-104 °C. | [References]
[1] Patent: US2006/128729, 2006, A1. Location in patent: Page/Page column 77
[2] Tetrahedron, 2018, vol. 74, # 2, p. 303 - 307
[3] Patent: CN106565522, 2017, A. Location in patent: Paragraph 0037; 0038
[4] Russian Chemical Bulletin, 2006, vol. 55, # 7, p. 1243 - 1247 |
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