5,8-Dibromo-2,3-diphenylquinoxaline

HCID 22475901CAS 94544-77-1

Substructure search Find similar structures

Basic information

Standard SMILES: Brc1ccc(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIKey: LELMSURPXIAXOW-UHFFFAOYSA-N
Molecular formula: C20H12Br2N2
Average molar mass: 440.1 g/mol
Monoisotopic mass: 437.93672258

Names & identifiers

Preferred name: 5,8-Dibromo-2,3-diphenylquinoxaline
IUPAC: 5,8-dibromo-2,3-diphenylquinoxaline
English name: 5,8-DibroMo-2,3-diphenylquinoxaline
Molecular formula: C20H12Br2N2
Molecular weight: 440.13

Names & synonyms

5,8-Dibromo-2,3-diphenylquinoxaline94544-77-1DTXSID30625927RefChem:298919DTXCID10576680806-951-5Quinoxaline, 5,8-dibromo-2,3-diphenyl-MFCD279662655,8-dibromo-2,3-diphenyl-Quinoxaline2,3-Diphenyl-5,8-dibromoquinoxaline5,8-dibromodiphenylquinoxalineC20H12Br2N2

Show more names

5,8-Dibromo-2,3-diphenylquinoxaline>

SCHEMBL1322385SCHEMBL29423330LELMSURPXIAXOW-UHFFFAOYSA-N58-Dibromo-23-diphenylquinoxalineAKOS0266713505,8-dibromo-2,3-di(phenyl)quinoxaline5,8-dibromo-2,3-bis(phenyl)quinoxalineAS-63664

Database identifiers

CAS: 94544-77-1
PubChem CID: 22475901
DTXSID: DTXSID30625927
EC Number: 806-951-5
Nikkaji: J748.870J

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 368

Physicochemical properties

Melting point: 220 to · 220.0 to 224.0 °C
form: powder to crystal
color: White to Light yellow
λmax: 358 nm · 358nm(CHCl3)(lit.)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2933.99 · 2933.99.8290

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933.99.8290
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

Uses5,8-Dibromo-2,3-diphenylquinoxaline is a heterocyclic compound that can be used for the synthesis of donor-acceptor polymers and the study of their organic photovoltaic properties.