2-Fluoro-5-nitropyridine

HCID 95264CAS 456-24-6

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1ccc(F)nc1
InChIKey: XOZAJNLUAODXSP-UHFFFAOYSA-N
Molecular formula: C5H3FN2O2
Average molar mass: 142.09 g/mol
Monoisotopic mass: 142.01785556

Names & identifiers

Preferred name: 2-Fluoro-5-nitropyridine
IUPAC: 2-fluoro-5-nitropyridine
English name: 2-Fluoro-5-nitropyridine
Molecular formula: C5H3FN2O2
Molecular weight: 142.09

Names & synonyms

2-Fluoro-5-nitropyridine456-24-6EINECS 207-260-6DTXSID70196565NSC 26280RefChem:87112DTXCID10119056207-260-66-Fluoro-3-nitropyridine2-fluoro-5-nitro-pyridineMFCD03095059CS-D0968

Show more names

uoro-5-nitropyridine2-Fluoro-5-nitropyridine >Perfluorooctapentacontanoic acid2-Fluoro-5-nitropyridine ISO 9001：2015 REACH

NSC-26280AKOS005145591EN300-104104PYRIDINE, 2-FLUORO-5-NITRO-5-nitro-2-fluoropyridineNSC262802-Fluoro-5-nitropyridFmoc-Thr-OH monohydrate

Database identifiers

CAS: 456-24-6
PubChem CID: 95264
DTXSID: DTXSID70196565
EC Number: 207-260-6
Nikkaji: J149.529A

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 142 · 142-144 C
Boiling point: 86 · 86-87℃/7mm lit.
Density: 4 · 4,64g/cm
refractive index: 1.525 · 1.5250
storage temp.: Inert atmosphere,Room Temperature
form: Liquid
pka: -4.47 · -4.47±0.10(Predicted)
color: Colorless to pale yellow
Water Solubility: Slightly soluble in water.
Sensitive: Moisture Sensitive
InChI: InChI=1S/C5H3FN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H
InChIKey: XOZAJNLUAODXSP-UHFFFAOYSA-N
SMILES: C1(F)=NC=C([N+]([O-])=O)C=C1
CAS DataBase Reference: 456 · 456-24-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H302
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-22
Safety Statements: 36 · 36
RIDADR: 1549 · UN 1549
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

ridadr: UN 1549
hs_code: 2933399990
risk_code: 20/21/22-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36
Hazard statements: H315-H319-H335-H302
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

UsesIt is used in the preparation of nitropyridines by nitration of pyridines with nitric acid.

Uses2-Fluoro-5-nitropyridine can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.