ethyl 2-bromo-5-cyclopropyl-1H-imidazole-4-carboxylate
Basic information
- CAS
2112918-06-4- Standard SMILES
CCOC(=O)c1nc(Br)[nH]c1C1CC1- InChIKey
BJTIMCHBUFOZJM-UHFFFAOYSA-N- Molecular formula
- C9H11BrN2O2
- Average molar mass
- 259.1 g/mol
- Monoisotopic mass
- 258.00039
Names & identifiers
- Preferred name
- ethyl 2-bromo-5-cyclopropyl-1H-imidazole-4-carboxylate
- IUPAC
- ethyl 2-bromo-5-cyclopropyl-1H-imidazole-4-carboxylate
Names & synonyms
ethyl 2-bromo-5-cyclopropyl-1H-imidazole-4-carboxylate2112918-06-4RefChem:594255889-748-4EN300-363733
Database identifiers
- CAS
2112918-06-4- PubChem CID
- 125042010
- EC Number
- 889-748-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
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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