2-Phenylindol
2-Phenylindole
Grundinformationen
- CAS
948-65-2- Standard-SMILES
c1ccc(-c2cc3ccccc3[nH]2)cc1- InChIKey
KLLLJCACIRKBDT-UHFFFAOYSA-N- Summenformel
- C14H11N
- Durchschnittliche Molmasse
- 193,24 g/mol
- Monoisotopische Masse
- 193,08914936
Überblick
2-phenyl-1H-indole is a phenylindole.
Namen und Bezeichner
- Bevorzugter Name
- 2-Phenylindole
- IUPAC
- 2-phenyl-1H-indole
- Lokaler Name
- 2-Phenylindol
- Englischer Name
- 2-Phenylindole
- Summenformel
- C14H11N
- Molmasse
- 193.24
Namen und Synonyme
2-Phenylindole2-PHENYL-1H-INDOLE948-65-21H-Indole, 2-phenyl-Indole, 2-phenyl-Stabilizer Ialpha-PhenylindoleMQD44HV3P1NSC-15776DTXSID80613431H-Indole, 2-phenylRefChem:89089
Weitere Namen anzeigen
1H-Indole,2-phenyl-NSC 15776stabilizeri-PhenylindoleA-PHENYLINDOLa-Phenylindole2-phenyl-indol
DTXCID3048940213-436-3PhenylindoleMFCD000056082-PHENYL INDOLE.alpha.-Phenylindole2-phenylindolTimTec1_005424
Datenbank-Bezeichner
- CAS
948-65-2- PubChem CID
- 13698
- DTXSID
DTXSID8061343- ChEMBL
CHEMBL75756- ChEBI
CHEBI:113541- UNII
- MQD44HV3P1
- EC Number
- 213-436-3
- Nikkaji
- J36.864D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 15,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 207
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Indoles
SpringerMaterials PropertiesLuminescence
Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionPowder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 188 · 188-190 °C (lit.)
- Siedepunkt
- 250 °C/10 · 250 °C/10 mmHg (lit.)
- Dichte
- 1.1061 · 1.1061 (rough estimate)
- Brechungsindex
- 1.585 · 1.5850 (estimate)
- Flammpunkt
- 250 °C/10mm · 250°C/10mm
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- almost transparency in Methanol
- Aggregatzustand
- Powder
- pka
- 16.8 · 16.80±0.30(Predicted)
- Farbe
- Off-white to beige or slightly green
- InChI
- 1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H
- InChIKey
- KLLLJCACIRKBDT-UHFFFAOYSA-N
- SMILES
- c1ccc(cc1)-c2cc3ccccc3[nH]2
- CAS Datenbank
- 948 · 948-65-2(CAS DataBase Reference)
- NIST chemische Informationen
- 1 H-Indole, · 1H-Indole, 2-phenyl-(948-65-2)
- EPA chemische Informationen
- 1 H-Indole, · 1H-Indole, 2-phenyl- (948-65-2)
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
This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.
Danger
H315 (93.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (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
Regulatory InformationChemical: 1H-Indole, 2-phenyl-
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See 3-Methylindole.
Hazard Classes and CategoriesSkin Irrit. 2 (93.3%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29309090
- RTECS-Nr.
- NM1272500
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1H-Indole, 2-phenyl-: ACTIVE
Anwendungen
VerwendenReactant for preparation of: • ;Oxopyrrolidine analogs via iodine-catalyzed Markovnikov addition1• ;Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators2• ;Organic light emitting diodes (OLEDs)3• ;Anti inflammatory agents4• ;Potential cyclooxygenase-1 (COX-1)/cyclooxygenase-2 (COX-2) inhibitors5• ;Agents for cancer and malaria therapy6• ;Antifungal and antibacterial agents7• ;Fluorescent probes8Reactant in:• ;Difluorohydroxylation reactions†• ;Mannich-type reactions†
Darstellung
synthetische2-phenylindole is prepared by condensing phenylhydrazine and acetophenone, and then closing the ring in the presence of zinc chloride. or it can be prepared by heating bromoacetophenone with excess aniline, or heating N-(2-methylphenyl)benzamide and sodium ethoxide at 360-380℃ in isolation from air.
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