Basic information
- CAS
956118-52-8- Standard SMILES
CCOC(=O)c1ocnc1CBr- InChIKey
VFIOWZYROYPJEZ-UHFFFAOYSA-N- Molecular formula
- C7H8BrNO3
- Average molar mass
- 234.05 g/mol
- Monoisotopic mass
- 232.96876
Names & identifiers
- Preferred name
- Ethyl 4-(bromomethyl)-1,3-oxazole-5-carboxylate
- IUPAC
- ethyl 4-(bromomethyl)-1,3-oxazole-5-carboxylate
Names & synonyms
ethyl 4-(bromomethyl)-1,3-oxazole-5-carboxylate956118-52-8RefChem:595241987-803-85-Oxazolecarboxylic acid, 4-(bromomethyl)-, ethyl esterSCHEMBL13545979EN300-1703133
Database identifiers
- CAS
956118-52-8- PubChem CID
- 53404658
- EC Number
- 987-803-8
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
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]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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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