1-(4-Methoxyphenyl)-2-quinolin-2-ylethanone
Basic information
- CAS
7469-86-5- Standard SMILES
COc1ccc(C(=O)Cc2ccc3ccccc3n2)cc1- InChIKey
XEXQEYGNRKJASK-UHFFFAOYSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-2-quinolin-2-ylethanone
- IUPAC
- 1-(4-methoxyphenyl)-2-quinolin-2-ylethanone
- English name
- 4-(Methylsulfonyl)-2-nitroaniline
- Molecular formula
- C18H15NO2
- Molecular weight
- 277.32
Names & synonyms
7469-86-51-(4-methoxyphenyl)-2-quinolin-2-ylethanone1-(4-Methoxyphenyl)-2-(quinolin-2-yl)ethan-1-one1-(4-methoxyphenyl)-2-(quinolin-2-yl)ethanoneMFCD04037914NSC402302DTXSID50322921AKOS009157366NSC-402302SB70052DB-017368CS-0363560
Show more names
4-(Methylsulfonyl)-2-nitroaniline4-(METHYLSULPHONYL)-2-NITROANILINE1-(4-methoxyphenyl)-2-(2-quinolinyl)ethanoneEthanone, 1-(4-methoxyphenyl)-2-(2-quinolinyl)-1-(4-Methoxyphenyl)-2-(quinolin-2-yl)ethan-1-one 95+%
ST510421811-(4-methoxyphenyl)-2-(2-quinolyl)ethanone1-(4-methoxyphenyl)-2-(2-quinolyl)ethan-1-oneF023552
Database identifiers
- CAS
7469-86-5- PubChem CID
- 345071
- DTXSID
DTXSID50322921- Nikkaji
- J1.361.380J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 194 · 194-196
- Boiling point
- 464 · 464.0±25.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- 4 · 4.00±0.48(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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