Basic information
- CAS
355429-20-8- Standard SMILES
CCCCCCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccc(C)cc23)cc1- InChIKey
YPABWEUJSGRIAL-UHFFFAOYSA-N- Molecular formula
- C32H32BrNO3
- Average molar mass
- 558.5 g/mol
- Monoisotopic mass
- 557.15656
Names & identifiers
- Preferred name
- 2-(4-Heptylphenyl)-2-oxoethyl 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylate
- IUPAC
- [2-(4-heptylphenyl)-2-oxoethyl] 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate
- English name
- SALOR-INT L208639-1EA
- Molecular formula
- C32H32BrNO3
- Molecular weight
- 558.51
Names & synonyms
355429-20-82-(4-heptylphenyl)-2-oxoethyl 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylateRefChem:457761632-219-82-(4-heptylphenyl)-2-oxoethyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylateSTK196156AKOS005414302ST508882262-(4-heptylphenyl)-2-oxoethyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylat eVITAS-BB TBB014499SALOR-INT L208639-1EA4-Quinolinecarboxylic acid, 2-(4-bromophenyl)-6-methyl-, 2-(4-heptylphenyl)-2-oxoethyl ester
Database identifiers
- CAS
355429-20-8- PubChem CID
- 3696779
- EC Number
- 632-219-8
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 713
Physicochemical properties
- Boiling point
- 703.7 · 703.7±60.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 1.92 · 1.92±0.33(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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 CategoriesEye Irrit. 2 (97.4%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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