2-Bromo-5-(oxetan-3-yl)pyrazine
Basic information
- CAS
2222934-73-6- Standard SMILES
Brc1cnc(C2COC2)cn1- InChIKey
VYLZQRXJJUATMU-UHFFFAOYSA-N- Molecular formula
- C7H7BrN2O
- Average molar mass
- 215.05 g/mol
- Monoisotopic mass
- 213.97418
Names & identifiers
- Preferred name
- 2-Bromo-5-(oxetan-3-yl)pyrazine
- IUPAC
- 2-bromo-5-(oxetan-3-yl)pyrazine
- English name
- 2-bromo-5-(oxetan-3-yl)pyrazine
- Molecular formula
- C7H7BrN2O
- Molecular weight
- 215.05
Names & synonyms
2-Bromo-5-(oxetan-3-yl)pyrazine2222934-73-6MFCD31733594CS-42775P20650Pyrazine, 2-bromo-5-(3-oxetanyl)-
Database identifiers
- CAS
2222934-73-6- PubChem CID
- 138113315
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 293.7 · 293.7±40.0 °C(Predicted)
- Density
- 1.669 · 1.669±0.06 g/cm3(Predicted)
- pka
- -1.49 · -1.49±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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