2,6-Dibromo-3,5-difluoropyridine
Basic information
- CAS
210169-13-4- Standard SMILES
Fc1cc(F)c(Br)nc1Br- InChIKey
VOFPGLZHLDBACN-UHFFFAOYSA-N- Molecular formula
- C5HBr2F2N
- Average molar mass
- 272.87 g/mol
- Monoisotopic mass
- 270.84438
Names & identifiers
- Preferred name
- 2,6-Dibromo-3,5-difluoropyridine
- IUPAC
- 2,6-dibromo-3,5-difluoropyridine
- English name
- 2,6-dibroMo-3,5-difluoropyridine
- Molecular formula
- C5HBr2F2N
- Molecular weight
- 272.87
Names & synonyms
2,6-dibromo-3,5-difluoropyridine210169-13-4pyridine, 2,6-dibromo-3,5-difluoro-DTXSID00349082RefChem:248166DTXCID60300154InChI=1/C5HBr2F2N/c6-4-2(8)1-3(9)5(7)10-4/h12,6-dibromo-3,5-difluoro-pyridineMFCD21603841SCHEMBL23287467ZB0122FD80633
Show more names
AS-77433SY337449DB-364408CS-0146040D94612F230950
Database identifiers
- CAS
210169-13-4- PubChem CID
- 642840
- DTXSID
DTXSID00349082- EC Number
- 112-566-7
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 206.5 · 206.5±35.0 °C(Predicted)
- Density
- 2.21 · 2.210±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -8.49 · -8.49±0.20(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C5HBr2F2N/c6-4-2(8)1-3(9)5(7)10-4/h1H
- InChIKey
- VOFPGLZHLDBACN-UHFFFAOYSA-N
- SMILES
- C1(Br)=NC(Br)=C(F)C=C1F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
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
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)
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Preparation methods
PreparationThis reaction was repeated in an attempt to discover the source of the hydrogen in the product (21), however, reaction of (11) with (24a) using deuterated acetonitrile as the solvent gave 2,6-dibromo-3,5-difluoropyridine, (41 %). Reagents and conditions; i, 1-Trimethylsilyloxycyclohexene (2.5 equiv.), 3KF, MeCN, RT 16h and 60℃ 8h.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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