Grundinformationen
- 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
Weitere Namen anzeigen
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 Struktureigenschaften
- 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
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
- 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 Regulatorisches
GHS-Klassifizierung
GHS Classification
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
Reactivity Profile
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.
Sicherheit und Schutzausrüstung
First Aid
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
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.
Personal Protective Equipment (PPE)
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
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
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.
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