1-(Quinolin-6-yl)ethan-1-one

HCID 258559

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 73013-68-0
Standard SMILES: CC(=O)c1ccc2ncccc2c1
InChIKey: GBYIZWZRYFGYDE-UHFFFAOYSA-N
Molecular formula: C11H9NO
Average molar mass: 171.19 g/mol
Monoisotopic mass: 171.06841391

Names & identifiers

Preferred name: 1-(Quinolin-6-yl)ethan-1-one
IUPAC: 1-quinolin-6-ylethanone
English name: 6-ACETYLQUINOLINE
Molecular formula: C11H9NO
Molecular weight: 171.2

Names & synonyms

1-(quinolin-6-yl)ethan-1-oneRefChem:428664823-128-66-ACETYLQUINOLINE73013-68-01-(quinolin-6-yl)ethanone1-quinolin-6-ylethanone1-quinolin-6-yl-ethanoneMFCD00047614NCIOpen2_000994DTXSID40293171NSC 87613

Show more names

1-(Quinolin-6-yl)6-ACETYLQUINOLINE ISO 9001：2015 REACH

GS-5492SY006186CS-0060853Z1089965674Ethanone, 1-(6-quinolinyl)-1-(6-quinolinyl)ethanoneNSC876136-Ac

Database identifiers

CAS: 73013-68-0
PubChem CID: 258559
DTXSID: DTXSID40293171
EC Number: 823-128-6
Nikkaji: J1.586.435D

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 202

Experimental & physicochemical properties

LogP1.58

Physicochemical properties

Melting point: 77 °C · 77 °C
Boiling point: 145 °C · 145 °C(Press: 2 Torr)
Density: 1.154 · 1.154±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 3.99 · 3.99±0.10(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, 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 2 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 (50%)

Safety data

hs_code: 2933499090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses6-Acetylquinoline is a useful research chemical used in the preparation and synthesis of (quinolinylmethylidene)thiazolinones as cyclin-dependent kinase 1 inhibitors.