Chinoxalin-2,3-diol

2,3-Dihydroxyquinoxaline

HCID 27491CAS 15804-19-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=c1[nH]c2ccccc2[nH]c1=O
InChIKey: ABJFBJGGLJVMAQ-UHFFFAOYSA-N
Summenformel: C8H6N2O2
Durchschnittliche Molmasse: 162,15 g/mol
Monoisotopische Masse: 162,04292743

Überblick

fluorescent oxalic acid deriv.

Namen und Bezeichner

Bevorzugter Name: 2,3-Dihydroxyquinoxaline
IUPAC: 1,4-dihydroquinoxaline-2,3-dione
Lokaler Name: Chinoxalin-2,3-diol
Englischer Name: 2,3-Dihydroxyquinoxaline
Summenformel: C8H6N2O2
Molmasse: 162.15

Namen und Synonyme

2,3-Dihydroxyquinoxaline15804-19-02,3-Quinoxalinedione, 1,4-dihydro-APO55IZ9E1NSC-8698DTXSID9065946RefChem:442424DTXCID0035081239-901-0Quinoxaline-2,3(1H,4H)-dioneQuinoxaline-2,3-diol2,3-QUINOXALINEDIOL

Weitere Namen anzeigen

usafek-6232DHQ, 10 mM in DMSOTIMTEC-BB SBB000138Dihydroxy quinoxaline2,3-dihydroquinoxaline2,3-dihydroxy-quinoxalin

1,4-Dihydro-2,3-quinoxalinedione1,4-dihydroquinoxaline-2,3-dione2,3(1H,4H)-Quinoxalinedione6287-20-3USAF EK-62321,2,3,4-tetrahydroquinoxaline-2,3-dioneQuinoxaline, 2,3-dihydroxy-2,3-Dihydroxyphenpiazine

Datenbank-Bezeichner

CAS: 15804-19-0
PubChem CID: 27491
DTXSID: DTXSID9065946
ChEMBL: CHEMBL282672
UNII: APO55IZ9E1
EC Number: 239-901-0
Nikkaji: J48.373G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 58,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 203

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings

SpringerMaterials PropertiesChemical shift

LogP0.2

Solubility>24.3 [ug/mL] (The mean of the results at pH 7.4)

Vapor Pressure0.00000005 [mmHg]

Physical DescriptionWhite or light brown powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C (lit.)
Siedepunkt: 288.82 °C · 288.82°C (rough estimate)
Dichte: 1.3264 · 1.3264 (rough estimate)
Brechungsindex: 1.577 · 1.5770 (estimate)
storage temp.: Inert atmosphere,Room Temperature
pka: 10.66 · 10.66±0.20(Predicted)
Aggregatzustand: powder to crystaline
Farbe: White to Orange to Green
BRN: 136884 · 136884
InChI: InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)
InChIKey: ABJFBJGGLJVMAQ-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)NC(=O)C1=O
CAS Datenbank: 15804 · 15804-19-0(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2,3-Quinoxalinedione, 1,4-dihydro- (15804-19-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.