6-Bromoquinolin-2(1H)-one

HCID 12378943CAS 1810-66-8

Substructure search Find similar structures

Basic information

Standard SMILES: O=c1ccc2cc(Br)ccc2[nH]1
InChIKey: YLAFBGATSQRSTB-UHFFFAOYSA-N
Molecular formula: C9H6BrNO
Average molar mass: 224.05 g/mol
Monoisotopic mass: 222.96327591

Overview

6-Bromoquinolin-2-ol is a member of quinolines.

Names & identifiers

Preferred name: 6-Bromoquinolin-2(1H)-one
IUPAC: 6-bromo-1H-quinolin-2-one
English name: 6-Bromo-2(1H)-quinolone
Molecular formula: C9H6BrNO
Molecular weight: 224.05

Names & synonyms

6-Bromoquinolin-2(1H)-one1810-66-86-Bromo-2(1H)-quinolinoneDTXSID80495319RefChem:307687DTXCID80446129803-149-76-bromo-1H-quinolin-2-one6-BROMO-2(1H)-QUINOLONE6-Bromo-2-hydroxyquinoline6-bromoquinolin-2-ol2(1H)-Quinolinone, 6-bromo-

Show more names

2-Hydroxy-6-bromoquinolineP-5241094046-Bromocarbostyril6-Bromo-2-quinolinol6-Bromo-2-quinolinone

6-bromo-1,2-dihydroquinolin-2-oneMFCD08703169SCHEMBL347122AKOS013153973AB421432-Hydroxy-6-bromoquinoline, AldrichCPRSY0067616-bromo-2-quinolone

Database identifiers

CAS: 1810-66-8
PubChem CID: 12378943
DTXSID: DTXSID80495319
ChEBI: CHEBI:231294
EC Number: 803-149-7
Nikkaji: J2.594.714B

Properties

Computed structural properties

XLogP: 2
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: 227

Physicochemical properties

Melting point: 278 · 278-280C
Boiling point: 393.8 · 393.8±42.0 °C(Predicted)
Density: 1.62 · 1.620±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO
pka: 10.76 · 10.76±0.70(Predicted)
form: Solid
color: Beige
InChI: InChI=1S/C9H6BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
InChIKey: YLAFBGATSQRSTB-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Br)C=C2)C=CC1=O
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P501
Hazard Codes: Xn
Risk Statements: 22 · 22-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
HS Code: 2933499090 · 2933499090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Danger

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.