Basic information
- CAS
356783-28-3- Standard SMILES
N#Cc1nc(F)cnc1F- InChIKey
ONECIHYIQJRNTP-UHFFFAOYSA-N- Molecular formula
- C5HF2N3
- Average molar mass
- 141.08 g/mol
- Monoisotopic mass
- 141.01385347
Names & identifiers
- Preferred name
- 3,6-Difluoropyrazine-2-carbonitrile
- IUPAC
- 3,6-difluoropyrazine-2-carbonitrile
- English name
- 3,6-difluoropyrazine-2-carbonitrile
- Molecular formula
- C5HF2N3
- Molecular weight
- 141.08
Names & synonyms
3,6-difluoropyrazine-2-carbonitrile356783-28-3DTXSID00627392RefChem:272364DTXCID705781453,6-difluoro-2-pyrazinecarbonitrileMFCD22199270C5HF2N3avipravir intermediates2-Pyrazinecarbonitrile, 3,6-difluoro-Favipravir intermediatesFavipiravir Intermediate 1
Show more names
3,6-Difluoropyrazine-2-carbonitrile(N-2)
3,6-Difluoro-2-cyanopyrazineSCHEMBL1338236SCHEMBL29379576ONECIHYIQJRNTP-UHFFFAOYSA-NAKOS005166866FD82498AC-33289AS-47169
Database identifiers
- CAS
356783-28-3- PubChem CID
- 22662829
- DTXSID
DTXSID00627392- Nikkaji
- J2.688.115C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 206.5 · 206.5±35.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -7.28 · -7.28±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses3,6-difluoropyrazine-2-carbonitrile is used in multi-step synthesis of Favipiravir from Aminopyrazine.
Upstream & downstream products
Downstream products
Suppliers100 total
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Related reactions
20 records
Compound notes
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