Ethyl 7-(4-fluorobenzoyl)-3-(2-thienyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
Basic information
- CAS
302913-71-9- Standard SMILES
CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc(-c3cccs3)cc12- InChIKey
LNBMMGGPLBCMPY-UHFFFAOYSA-N- Molecular formula
- C21H15FN2O3S
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.07874168
Names & identifiers
- Preferred name
- Ethyl 7-(4-fluorobenzoyl)-3-(2-thienyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
- IUPAC
- ethyl 7-(4-fluorobenzoyl)-3-thiophen-2-ylpyrrolo[1,2-c]pyrimidine-5-carboxylate
- English name
- ethyl 7-(4-fluorobenzoyl)-3-(thiophen-2-yl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
- Molecular formula
- C21H15FN2O3S
- Molecular weight
- 394.4188032
Names & synonyms
302913-71-9Ethyl 7-(4-fluorobenzoyl)-3-(2-thienyl)pyrrolo(1,2-C)pyrimidine-5-carboxylateethyl 7-(4-fluorobenzoyl)-3-(2-thienyl)pyrrolo[1,2-c]pyrimidine-5-carboxylateRefChem:595985658-437-3Ethyl 7-(4-fluorobenzoyl)-3-(thiophen-2-yl)pyrrolo[1,2-c]pyrimidine-5-carboxylateAKOS024327103
Database identifiers
- CAS
302913-71-9- PubChem CID
- 4334723
- EC Number
- 658-437-3
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 584
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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