Basic information
- CAS
1514053-88-3- Standard SMILES
CCCc1onc(CBr)c1CC- InChIKey
YPBHBBRZBOQVAZ-UHFFFAOYSA-N- Molecular formula
- C9H14BrNO
- Average molar mass
- 232.12 g/mol
- Monoisotopic mass
- 231.02588
Names & identifiers
- Preferred name
- 3-(Bromomethyl)-4-ethyl-5-propyl-1,2-oxazole
- IUPAC
- 3-(bromomethyl)-4-ethyl-5-propyl-1,2-oxazole
Names & synonyms
3-(bromomethyl)-4-ethyl-5-propyl-1,2-oxazole1514053-88-3RefChem:494429854-573-4AKOS019027247EN300-4345357
Database identifiers
- CAS
1514053-88-3- PubChem CID
- 80463556
- EC Number
- 854-573-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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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