4-Nitrophenyl 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylate
Basic information
- CAS
355421-75-9- Standard SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc12- InChIKey
CFMDEOBZJAUEGQ-UHFFFAOYSA-N- Molecular formula
- C22H12BrClN2O4
- Average molar mass
- 483.7 g/mol
- Monoisotopic mass
- 481.9669
Names & identifiers
- Preferred name
- 4-Nitrophenyl 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylate
- IUPAC
- (4-nitrophenyl) 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
Names & synonyms
355421-75-94-NITROPHENYL 6-BROMO-2-(4-CHLOROPHENYL)-4-QUINOLINECARBOXYLATERefChem:525983632-080-34-nitrophenyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylateOprea1_660933STK380738AKOS001029272ST51059526
Database identifiers
- CAS
355421-75-9- PubChem CID
- 3723934
- EC Number
- 632-080-3
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 617
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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)
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 CategoriesAcute Tox. 3 (100%)
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Compound notes
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