Grundinformationen
- Standard-SMILES
Clc1ccc2ccccc2n1- InChIKey
OFUFXTHGZWIDDB-UHFFFAOYSA-N- Summenformel
- C9H6ClN
- Durchschnittliche Molmasse
- 163,6 g/mol
- Monoisotopische Masse
- 163,01887687
Überblick
structure given in first source
Namen und Bezeichner
- Bevorzugter Name
- 2-Chloroquinoline
- IUPAC
- 2-chloroquinoline
- Lokaler Name
- 2-Chlorchinolin
- Englischer Name
- 2-Chloroquinoline
- Summenformel
- C9H6ClN
- Molmasse
- 163.6
Namen und Synonyme
2-Chloroquinoline612-62-4QUINOLINE, 2-CHLORO-UX7RIN8GEWNSC-6163DTXSID8060612RefChem:470528DTXCID2042985210-317-82-chloro-quinolineChloroquinolineQuinoline, chloro-
Weitere Namen anzeigen
2CQ2-chloro-quinolinQuinoline2-chloro-2-Chloroquinoline,99%2-Chloroquinoline >2-Chloroquinoline, 98%+2-Chloroquinoline ,99.70%2-Chloroquinoline, 99% 5GR2-Chloroquinoline, 99% 1GR
NSC 6163chioroquinolineMFCD00006741EINECS 210-317-8AI3-089092-Chloroquinoline, 99%CHLOROQUINOLINE, 2-NSC6163
Datenbank-Bezeichner
- CAS
612-62-4- PubChem CID
- 11928
- DTXSID
DTXSID8060612- ChEMBL
CHEMBL2042580- UNII
- UX7RIN8GEW
- EC Number
- 210-317-8
- Nikkaji
- J95.371G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 12,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 138
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Quinolines
SpringerMaterials PropertiesCrystal structure
LogP2.71
Vapor Pressure0.00508 [mmHg]
Physical DescriptionOff-white solid; mp = 34-37 deg C; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 34 · 34-37 °C (lit.)
- Siedepunkt
- 266 · 266-267 °C (lit.)
- Dichte
- 1.23 g/mL · 1.23 g/mL at 25 °C (lit.)
- Brechungsindex
- 1.6342 · 1.6342 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- Aggregatzustand
- Crystalline Powder, Crystals and/or Chunks or Fused Mass
- pka
- 0.41 · 0.41±0.40(Predicted)
- Farbe
- White to yellow
- Wasserlöslichkeit
- Insoluble
- BRN
- 112561 · 112561
- InChI
- 1S/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
- InChIKey
- OFUFXTHGZWIDDB-UHFFFAOYSA-N
- SMILES
- Clc1ccc2ccccc2n1
- CAS Datenbank
- 612 · 612-62-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Quinoline, 2-chloro-(612-62-4)
- EPA chemische Informationen
- 2 · Quinoline, 2-chloro- (612-62-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: Quinoline, 2-chloro-
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Quinoline.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29334900
- RTECS-Nr.
- VB2320000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationQuinoline, 2-chloro-: ACTIVE
Anwendungen
Verwenden2-Chloroquinoline is an intermediate used in the synthesis of various compounds that exhibits antifungal properties.
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