2,3-Difluoro-5-nitropyridine
Basic information
- CAS
954219-68-2- Standard SMILES
O=[N+]([O-])c1cnc(F)c(F)c1- InChIKey
YJBQJGQRNAZQPG-UHFFFAOYSA-N- Molecular formula
- C5H2F2N2O2
- Average molar mass
- 160.08 g/mol
- Monoisotopic mass
- 160.00843363
Names & identifiers
- Preferred name
- 2,3-Difluoro-5-nitropyridine
- IUPAC
- 2,3-difluoro-5-nitropyridine
- English name
- 2,3-Difluoro-5-nitropyridine
- Molecular formula
- C5H2F2N2O2
- Molecular weight
- 160.08
Names & synonyms
2,3-DIFLUORO-5-NITROPYRIDINE954219-68-2DTXSID30624536RefChem:244661DTXCID60575289862-605-32,3-difluoro-5-nitro-pyridineMFCD09750303SCHEMBL16992887ZB1250AKOS006328368CS-W018740
Show more names
Pyridine, 2,3-difluoro-5-nitro-2,3-Difluoro-5-nitropyridine 98%
DS-15631SY043248EN300-113448AM62437A845294SCHEMBL30625727F2092582,3-DIFLUORO-5-NITROPYRIDINE, 954219-68-2, AG-H-92744, PubChem5413, 2,3-difluoro-5-nitro-pyridine, CTK5H7718, MolPort-003-984-225, ACT01396, ANW-46297, ZINC21981786, 2,3-bis(fluoranyl)-5-nitro-pyridine, AKOS006328368, AM62437, LS20384, XF10071, AK-64796, KB-125083, W9741, A845294
Database identifiers
- CAS
954219-68-2- PubChem CID
- 22308697
- DTXSID
DTXSID30624536- EC Number
- 862-605-3
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 226.2 · 226.2±35.0 °C(Predicted)
- Density
- 1.555 · 1.555±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -6.89 · -6.89±0.20(Predicted)
- form
- liquid
- color
- Colourless to light yellow
- InChI
- InChI=1S/C5H2F2N2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H
- InChIKey
- YJBQJGQRNAZQPG-UHFFFAOYSA-N
- SMILES
- C1(F)=NC=C([N+]([O-])=O)C=C1F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,3-Difluoro-5-nitropyridine is a useful reagent in preparation of nucleophilic aromatic substitution of aryl and heteroaryl halides with nitrogen and oxygen nucleophiles via micellar catalysis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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