6-Bromo-3,4-dihydroquinolin-2(1H)-one

HCID 14373281CAS 3279-90-1

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CCc2cc(Br)ccc2N1
InChIKey: MQWZSSIUHXNNTM-UHFFFAOYSA-N
Molecular formula: C9H8BrNO
Average molar mass: 226.07 g/mol
Monoisotopic mass: 224.97892598

Names & identifiers

Preferred name: 6-Bromo-3,4-dihydroquinolin-2(1H)-one
IUPAC: 6-bromo-3,4-dihydro-1H-quinolin-2-one
English name: 6-Bromo-3,4-dihydro-1H-quinolin-2-one
Molecular formula: C9H8BrNO
Molecular weight: 226.07

Names & synonyms

3279-90-16-bromo-3,4-dihydroquinolin-2(1H)-oneDTXSID80559546RefChem:307475DTXCID50510326676-036-16-bromo-3,4-dihydro-1h-quinolin-2-one6-Bromo-1,2,3,4-tetrahydro-2-quinolinone6-Bromo-3,4-dihydro-2(1H)-quinolinone6-bromo-1,2,3,4-tetrahydroquinolin-2-one2(1H)-Quinolinone, 6-bromo-3,4-dihydro-MFCD03839832

Show more names

6-BroMo-3,4-dihydro-(1H)-2-quinolinone6-Bromocarbostiryl6-BroM-3,4-dihydro-carbostyrilCarbostyril, 6-bromo-3,4-dihydro-

6-Bromo-2-oxo-1,2,3,4-tetrahydroquinolineNG-0703SB405986-bromo-1,2,3,4-tetrahydroquinol-2-oneSCHEMBL99208SCHEMBL1744197SCHEMBL50579636-bromo-3,4-dihydrocarbostyril

Database identifiers

CAS: 3279-90-1
PubChem CID: 14373281
DTXSID: DTXSID80559546
ChEMBL: CHEMBL5871485
EC Number: 676-036-1
Nikkaji: J1.357.221F

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 195

Physicochemical properties

Melting point: 170 · 170-172℃
Boiling point: 376.3 · 376.3±42.0 °C(Predicted)
Density: 1.559 · 1.559±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 13.92 · 13.92±0.20(Predicted)
form: Powder
color: Brown
Sensitive: Light Sensitive
InChI: InChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)
InChIKey: MQWZSSIUHXNNTM-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Br)C=C2)CCC1=O
CAS DataBase Reference: 3279 · 3279-90-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-52-22
Safety Statements: 26 · 26-36/37/39
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (57.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 7 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.