Basic information
- CAS
1782260-97-2- Standard SMILES
COc1oncc1Br- InChIKey
RXLRZIGZPDUEOM-UHFFFAOYSA-N- Molecular formula
- C4H4BrNO2
- Average molar mass
- 177.98 g/mol
- Monoisotopic mass
- 176.94254
Names & identifiers
- Preferred name
- 4-Bromo-5-methoxy-1,2-oxazole
- IUPAC
- 4-bromo-5-methoxy-1,2-oxazole
Names & synonyms
4-Bromo-5-methoxy-1,2-oxazole1782260-97-2RefChem:520163829-700-14-BROMO-5-METHOXYISOXAZOLEAT19729EN300-6479838
Database identifiers
- CAS
1782260-97-2- PubChem CID
- 84075729
- EC Number
- 829-700-1
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.4
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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