5-Quinoxalinol

HCID 135690274CAS 17056-99-4

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1cccc2nccnc12
InChIKey: ZUQDDQFXSNXEOD-UHFFFAOYSA-N
Molecular formula: C8H6N2O
Average molar mass: 146.15 g/mol
Monoisotopic mass: 146.04801281

Names & identifiers

Preferred name: 5-Quinoxalinol
IUPAC: quinoxalin-5-ol
English name: 5-Hydroxyquinoxaline
Molecular formula: C8H6N2O
Molecular weight: 146.15

Names & synonyms

5-quinoxalinolDTXSID40901663RefChem:537801DTXCID801329964808-196-7NOCAS_901663Quinoxalin-5-ol17056-99-45-HYDROXYQUINOXALINE1H-quinoxalin-5-oneMFCD009720048-Quinoxalinol

Show more names

Quinoxaline-5-ol5-Quinoxalinol >1H-quinoxalin-5-one5-Hydroxyquinoxaline,97%

SCHEMBL276921SCHEMBL9389197GS-4204CS-00189633-O-METHYLURIDINE1H-quinoxaAMY3196A1IIC

Database identifiers

CAS: 17056-99-4
PubChem CID: 135690274
DTXSID: DTXSID40901663
ChEMBL: CHEMBL3634137
EC Number: 808-196-7
Nikkaji: J2.067.211K

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 46 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 140

Physicochemical properties

Melting point: 100 · 100-102℃
Boiling point: 184 °C/7mmHg · 184°C/7mmHg(lit.)
Density: 1.347 · 1.347±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 6.75 · 6.75±0.40(Predicted)
color: Light yellow to Yellow to Orange
λmax: 250 nm · 250nm(H2O)(lit.)
CAS DataBase Reference: 17056 · 17056-99-4
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: 22 · 22
HS Code: 2933998090 · 2933998090

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: 2933998090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses5-Hydroxyquinoxaline is used in the synthesis of potent gp120-CD4 inhibitors, useful in HIV treatment. Also in the design and synthesis of para-quinone-based inhibitors acting on CdC25B.