StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Verbindung

2,3-Dichlorchinoxalin

2,3-Dichloroquinoxaline

HCID 16659
Neue NotizNeue ReaktionAnfrage stellen
Druckvorschau

Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen

GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
2213-63-0
Standard-SMILES
Clc1nc2ccccc2nc1Cl
InChIKey
SPSSDDOTEZKOOV-UHFFFAOYSA-N
Summenformel
C8H4Cl2N2
Durchschnittliche Molmasse
199,03 g/mol
Monoisotopische Masse
197,97515349

Überblick

2,3-dichloroquinoxaline is a gray solid. Insoluble in water. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2,3-Dichloroquinoxaline
IUPAC
2,3-dichloroquinoxaline
Lokaler Name
2,3-Dichlorchinoxalin
Englischer Name
2,3-Dichloroquinoxaline
Summenformel
C8H4Cl2N2
Molmasse
199.04

Namen und Synonyme

2,3-DICHLOROQUINOXALINEQuinoxaline, 2,3-dichloro-CCRIS 4789DTXSID1025013EINECS 218-667-3NSC 33437BRN 0126076CP 42103-4DTXCID005013SPSSDDOTEZKOOV-UHFFFAOYSA-5-23-07-00144 (Beilstein Handbook Reference)RefChem:81621
Weitere Namen anzeigen
cp42103-4oroquinoxaLAKOS BBS-00006726TIMTEC-BB SBB003555SALOR-INT L497169-1EA3-Dichloroquinoxaline2,3-dichloro-quinoxalin2,3-Dichlcroquinoxaline
218-667-3InChI=1/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4HSPSSDDOTEZKOOV-UHFFFAOYSA-N2213-63-02,3-DICHLORO-QUINOXALINEMFCD000067203V2TXX4YAZNSC-33437

Datenbank-Bezeichner

CAS
2213-63-0
PubChem CID
16659
DTXSID
DTXSID1025013
ChEMBL
CHEMBL445957
UNII
3V2TXX4YAZ
EC Number
218-667-3
Nikkaji
J48.372I

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
3,1
Polarare Oberfläche (TPSA)
25,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
12
Formalladung
0
Komplexität
147

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
SolubilityInsoluble (<1 mg/ml) (NTP, 1992)
Flash Pointgreater than 167 °F (NTP, 1992)
Melting Point304 to 307 °F (NTP, 1992)
Physical Description2,3-dichloroquinoxaline is a gray solid. Insoluble in water. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
152 · 152-154 °C (lit.)
Siedepunkt
325.69 °C · 325.69°C (rough estimate)
Dichte
1.4994 · 1.4994 (rough estimate)
Brechungsindex
1.64 · 1.6400 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Wasserlöslichkeit

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

DOT LabelPoison
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 Eintrag

This is a halide- and amine-substituted aromatic compound. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (100%)

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationQuinoxaline, 2,3-dichloro-: ACTIVE
Anwendungen · 2 Einträge

Beschreibung2,3-Dichloroquinoxaline (DCQX) can be used as a substrate for nucleophilic aromatic substitution (SNAr) reactions and is a versatile building block for the synthesis of many quinoxaline derivatives. 2,3-Dichloroquinoxaline reacts with 6-aminothiouracil in ethanol/TEA to form 6-amino-2-(3-chloroquinoxalin-2-ylthio)pyrimidin-4(3H)-one. It reacts with cholest-5-en-3-one semicarbazone/thiosemicarbazone to form steriodal cholest-5-en-3-oxazolo and thiazoloquinoxaline.

Verwenden2,3-Dichloroquinoxaline is a dichlorinated quinoxaline derivative with antimicrobial activity. 2,3-Dichloroquinoxaline is used in the preparation of quinoxaline derivatives of cancer chemopreventive a ctivity.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Chinoxalin-2,3-diolOxalsäureo-PhenylendiamintrichlorophosphateN,N-DimethylformamidAmmoniak, wasserfrei

Nachgelagerte Produkte

2-Chloro-3-(4-morpholinyl)quinoxaline2 Chloro-3-amino quinoxalinepilaralisib

Zugehörige Reaktionen

102
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 14415
HRID 14415als Eduktuspto-grants-2010_06
Reaktionsgleichung von HRID 44204
HRID 44204als Eduktuspto-grants-2013_09
Reaktionsgleichung von HRID 44206
HRID 44206als Eduktuspto-grants-2013_09
Reaktionsgleichung von HRID 112143
HRID 112143als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 115634
HRID 115634als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 124188
HRID 124188als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 135003
HRID 135003als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 140628
HRID 140628als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Seite 1 von 13

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
Insoluble in water
Löslichkeit
soluble in Chloroform
Aggregatzustand
Needles
pka
-4.78 · -4.78±0.48(Predicted)
Farbe
Off-white to light brown
BRN
126076 · 126076
Stabilität
Stable. Incompatible with strong oxidizing agents.
InChI
1S/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H
InChIKey
SPSSDDOTEZKOOV-UHFFFAOYSA-N
SMILES
Clc1nc2ccccc2nc1Cl
CAS Datenbank
2213 · 2213-63-0(CAS DataBase Reference)
EPA chemische Informationen
2 · 2,3-Dichloroquinoxaline (2213-63-0)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material should be controlled using a dry chemical, carbon dioxide, foam, or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
2811
hs_code
29339900
RTECS-Nr.
VD1720000
risk_code
25-36/37/38
Toxizität
mouse,LD50,intravenous,5600ug/kg (5.6mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03256,
hazard_code
T
safety_code
26-36/37/39-45-37/39-28A
hazard_class
6.1
packing_group
III
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications
Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
1,2,3,4,4a,5-Hexahydropyrido[1',2':4,5][1,4]oxazino[2,3-b]quinoxaline
2-Chloro-3-(3,5-dimethyl-pyrazol-1-yl)-quinoxaline
12H-quinoxalino[2,3-b][1,4]benzoxazine
2-Chloro-3-ethoxy-quinoxaline
N-(4-{[(3-Chloroquinoxalin-2-yl)amino]sulfonyl}phenyl)acetamide
NSC42848
2-Chloro-3-(1H-indol-3-yl)-quinoxaline, 98+% C16H10ClN3, MW: 279.73
2-N,3-N-diphenylquinoxaline-2,3-diamine
2-chloro-3-hydrazinylquinoxaline
Quinoxaline, 2,3-dihydrazinyl-
Quinoxaline, 2-chloro-3-(2-naphthalenyl)-