Quinoxaline-2-carbaldehyde

HCID 594088CAS 1593-08-4

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Grundinformationen

Standard-SMILES: O=Cc1cnc2ccccc2n1
InChIKey: UJEHWLFUEQHEEZ-UHFFFAOYSA-N
Summenformel: C9H6N2O
Durchschnittliche Molmasse: 158,16 g/mol
Monoisotopische Masse: 158,04801281

Namen und Bezeichner

Bevorzugter Name: Quinoxaline-2-carbaldehyde
IUPAC: quinoxaline-2-carbaldehyde
Englischer Name: 2-Quinoxalinecarbaldehyde
Summenformel: C9H6N2O
Molmasse: 158.16

Namen und Synonyme

Quinoxaline-2-carbaldehyde1593-08-4DTXSID50344042RefChem:872069DTXCID20295118673-182-82-formylquinoxaline2-quinoxalinecarboxaldehyde2-QuinoxalinecarbaldehydeQuinoxaline-2-carboxaldehydeMFCD00272280Chinoxalin-2-aldehyd

Weitere Namen anzeigen

AKOS B000386AKOS BBS-00005347IFLAB-BB F1938-0001ART-CHEM-BB B000386RARECHEM AK ML 0126TIMTEC-BB SBB009167Quinoxalin-2-carboxaldehyde

AKOS00011835010.14272/UJEHWLFUEQHEEZ-UHFFFAOYSA-N.1doi:10.14272/UJEHWLFUEQHEEZ-UHFFFAOYSA-N.1F1938-0001Z946020172-QuinoxalinecarbAMY36711A3520

Datenbank-Bezeichner

CAS: 1593-08-4
PubChem CID: 594088
DTXSID: DTXSID50344042
EC Number: 673-182-8
Nikkaji: J1.878.872A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 42,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 172

Physikochemische Eigenschaften

Schmelzpunkt: 107 · 107-111°C
Siedepunkt: 319.8 · 319.8±22.0 °C(Predicted)
Dichte: 1.299 · 1.299±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: -0.15 · -0.15±0.30(Predicted)
Aggregatzustand: Solid
Farbe: Dark Orange to Very Dark Orange
InChI: 1S/C9H6N2O/c12-6-7-5-10-8-3-1-2-4-9(8)11-7/h1-6H
InChIKey: UJEHWLFUEQHEEZ-UHFFFAOYSA-N
SMILES: O=Cc1cnc2ccccc2n1
CAS Datenbank: 1593 · 1593-08-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.

Warning

H315 (95.6%): 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)

Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (95.6%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 29339900
risk_code: 20/21/22-36/38-36/37/38-22
hazard_code: Xi
hazard_note: Harmful
safety_code: 26-36/37/39-22
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen

VerwendenAs 2-substituted quinoxaline derivative, 2-Quinoxalinecarbaldehyde can be used in the the preparation of stabilized hemiacetals with a wide range of cosmetic uses.