Isopropyl 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylate
Basic information
- CAS
351327-52-1- Standard SMILES
COc1ccc(-c2cc(C(=O)OC(C)C)c3cc(Br)ccc3n2)cc1- InChIKey
WHLSHGWASYVYTI-UHFFFAOYSA-N- Molecular formula
- C20H18BrNO3
- Average molar mass
- 400.3 g/mol
- Monoisotopic mass
- 399.04701
Names & identifiers
- Preferred name
- Isopropyl 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylate
- IUPAC
- propan-2-yl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
- English name
- SALOR-INT L209007-1EA
- Molecular formula
- C20H18BrNO3
- Molecular weight
- 400.27
Names & synonyms
351327-52-1isopropyl 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylateRefChem:792148632-420-0Isopropyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylatepropan-2-yl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylateCBMicro_015487Oprea1_093683CCG-2564STK387084AKOS001656044BIM-0015370.P001
Show more names
SALOR-INT L209007-1EA4-Quinolinecarboxylic acid, 6-bromo-2-(4-methoxyphenyl)-, 1-methylethyl ester
EU-0010808ST50885984SR-01000487762SR-01000487762-1methylethyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
Database identifiers
- CAS
351327-52-1- PubChem CID
- 1379079
- EC Number
- 632-420-0
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 517.7 · 517.7±50.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- pka
- 2.18 · 2.18±0.33(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H413-H319-H315-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, 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)
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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H413-H319-H315-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…