1-(5-Bromopyrimidin-4-yl)ethanone
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Basic information
- CAS
1245643-85-9- Standard SMILES
CC(=O)c1ncncc1Br- InChIKey
WQUHHYJBSJJZQU-UHFFFAOYSA-N- Molecular formula
- C6H5BrN2O
- Average molar mass
- 201.02 g/mol
- Monoisotopic mass
- 199.95853
Names & identifiers
- Preferred name
- 1-(5-Bromopyrimidin-4-yl)ethanone
- IUPAC
- 1-(5-bromopyrimidin-4-yl)ethanone
- English name
- 1-(5-BroMopyriMidin-4-yl)ethanone
- Molecular formula
- C6H5BrN2O
- Molecular weight
- 201.02
Names & synonyms
1-(5-Bromopyrimidin-4-yl)ethanone1245643-85-91-(5-Bromo-pyrimidin-4-yl)-ethanone1-(5-bromopyrimidin-4-yl)ethan-1-oneMFCD13193452Ethanone, 1-(5-bromo-4-pyrimidinyl)-1-(5-Bromo-4-pyrimidinyl)ethanoneDTXSID70743871AKOS016001537FS-3604SB32154SY113524
Show more names
DB-258852CS-0029884F220003
Database identifiers
- CAS
1245643-85-9- PubChem CID
- 70701092
- DTXSID
DTXSID70743871
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 292.9 · 292.9±25.0 °C(Predicted)
- Density
- 1.626 · 1.626±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -1.91 · -1.91±0.16(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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