1-ethyl-2-(4-iodobenzoyl)-1H-imidazole
Basic information
- CAS
1251200-18-6- Standard SMILES
CCn1ccnc1C(=O)c1ccc(I)cc1- InChIKey
XTQNJPMCKSAAAQ-UHFFFAOYSA-N- Molecular formula
- C12H11IN2O
- Average molar mass
- 326.13 g/mol
- Monoisotopic mass
- 325.99161
Names & identifiers
- Preferred name
- 1-ethyl-2-(4-iodobenzoyl)-1H-imidazole
- IUPAC
- (1-ethylimidazol-2-yl)-(4-iodophenyl)methanone
Names & synonyms
1-ethyl-2-(4-iodobenzoyl)-1H-imidazole1251200-18-6(1-ethylimidazol-2-yl)-(4-iodophenyl)methanoneBAC20018AKOS010570890EN300-123186
Database identifiers
- CAS
1251200-18-6- PubChem CID
- 61316658
- EC Number
- 184-924-0
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
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%)
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Related reactions
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Compound notes
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