2-Bromo-5-fluoro-3-nitropyridine

HCID 20791243CAS 652160-72-0

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1cc(F)cnc1Br
InChIKey: XJFDIIHIXNIWQH-UHFFFAOYSA-N
Molecular formula: C5H2BrFN2O2
Average molar mass: 220.98 g/mol
Monoisotopic mass: 219.92836762

Names & identifiers

Preferred name: 2-Bromo-5-fluoro-3-nitropyridine
IUPAC: 2-bromo-5-fluoro-3-nitropyridine
English name: 2-Bromo-5-fluoro-3-nitropyridine
Molecular formula: C5H2BrFN2O2
Molecular weight: 220.98

Names & synonyms

2-bromo-5-fluoro-3-nitropyridine652160-72-0DTXSID00609830RefChem:257342DTXCID90560587812-790-12-Bromo-5-fluoro-3-nitro-pyridineMFCD05662387Pyridine, 2-bromo-5-fluoro-3-nitro-SCHEMBL17629532-bromo-3-nitro-5-fluoro pyridineAKOS005145688

Show more names

LogP2-BROMO-5-FLUORO-3-NITROPYRDINE2-BROMO-5-FLUORO-3-NITROPYRIDINE ISO 9001：2015 REACH

CS-W0054562-bromanyl5-Fluoro-2-bromo-3-nitropyridineAC-23698AS-18884SY016559DB-008176F078018

Database identifiers

CAS: 652160-72-0
PubChem CID: 20791243
DTXSID: DTXSID00609830
EC Number: 812-790-1

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 163

Physicochemical properties

Boiling point: 227 ℃ · 227℃
Density: 1.923 · 1.923
Flash point: 91 ℃ · 91℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Solid
pka: -5.67 · -5.67±0.20(Predicted)
color: Pale orange
Water Solubility: Slightly soluble in water.
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-Bromo-5-fluoro-3-nitropyridine is a halogenated nitropyridine, which is often used in organic synthesis. 5-Fluoro-2-hydroxy-3-nitropyridine can be used as a raw material to synthesize 2-Bromo-5-fluoro-3-nitropyridine.