6-Bromoquinolin-2(1H)-one
Basic information
- CAS
1810-66-8- 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 Ų
- 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
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
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
Safety data
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P501
Chemistry & industry
Applications
Uses6-Bromo-2(1H)-quinolinone is a useful intermediate for the synthesis of other quinoline derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
16 records
Compound notes
Loading…