Cas no 1121585-22-5 (5-Fluoro-2-nitrobenzene-1,3-diol)

5-Fluoro-2-nitrobenzene-1,3-diol is a fluorinated nitrobenzene derivative characterized by the presence of hydroxyl and nitro functional groups on a benzene ring. This compound is of interest in synthetic organic chemistry due to its potential as an intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The electron-withdrawing effects of the nitro and fluoro groups enhance reactivity in nucleophilic substitution and other transformations, while the hydroxyl groups offer sites for further functionalization. Its structural features make it useful for constructing complex heterocyclic frameworks. Careful handling is required due to its potential sensitivity to light, heat, and reactive conditions.

5-Fluoro-2-nitrobenzene-1,3-diol structure

1121585-22-5 structure

Product Name:5-Fluoro-2-nitrobenzene-1,3-diol

CAS No:1121585-22-5

MF:C₆H₄FNO₄

MW:173.098665237427

CID:1040345

PubChem ID:45108194

Update Time:2025-10-17

5-Fluoro-2-nitrobenzene-1,3-diol Chemical and Physical Properties

Names and Identifiers

- 5-Fluoro-2-nitrobenzene-1,3-diol
- 4-fluoro-2,6-dihydroxynitrobenzene
- 4-fluoro-2-6-dihydroxynitrobenzene
- AK-87489
- ANW-65839
- CTK8C1073
- PF10364
- SBB065003
- CS-0367086
- SCHEMBL19306636
- DB-024344
- 1121585-22-5
- DTXSID70668232
- AKOS006308474
- MDL： MFCD11111775
- Inchi： 1S/C6H4FNO4/c7-3-1-4(9)6(8(11)12)5(10)2-3/h1-2,9-10H
- InChI Key： FOOSVTRRNLPPCR-UHFFFAOYSA-N
- SMILES： FC1C=C(C(=C(C=1)O)[N+](=O)[O-])O

Computed Properties

Exact Mass: 173.01243577g/mol
Monoisotopic Mass: 173.01243577g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 171
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.2
Topological Polar Surface Area: 86.3?2

Experimental Properties

Density: 1.691±0.06 g/cm3 (20 oC 760 Torr),
Boiling Point: 262.9±35.0 oC (760 Torr),
Flash Point: 112.8±25.9 oC,
Solubility: Slightly soluble (1.3 g/l) (25 o C),

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