Basic information
- CAS
154115-77-2- Standard SMILES
Cl.O=c1ncc(Br)c[nH]1- InChIKey
HWIYCPOXEBOZEF-UHFFFAOYSA-N- Molecular formula
- C4H4BrClN2O
- Average molar mass
- 211.44 g/mol
- Monoisotopic mass
- 209.91955
Names & identifiers
- Preferred name
- 5-Bromo-1,2-dihydropyrimidin-2-one hydrochloride
- IUPAC
- 5-bromo-1H-pyrimidin-2-one;hydrochloride
Names & synonyms
154115-77-25-bromo-1,2-dihydropyrimidin-2-one hydrochlorideRefChem:532677895-838-45-Bromopyrimidin-2(1H)-one hydrochloride5-bromo-1,2-dihydropyrimidin-2-onehydrochlorideSCHEMBL107365305-bromo-1H-pyrimidin-2-one;hydrochlorideEN300-27145411
Database identifiers
- CAS
154115-77-2- PubChem CID
- 20161337
- EC Number
- 895-838-4
Properties
Computed structural properties
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 173
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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