1-Phenylpyrrol

1-Phenylpyrrole

HCID 12480CAS 635-90-5

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Grundinformationen

Standard-SMILES: c1ccc(-n2cccc2)cc1
InChIKey: GEZGAZKEOUKLBR-UHFFFAOYSA-N
Summenformel: C10H9N
Durchschnittliche Molmasse: 143,18 g/mol
Monoisotopische Masse: 143,07349929

Überblick

1-phenylpyrrole is a member of the class of pyrroles that is 1H-pyrrole substituted by a phenyl group at position 1. It is a member of benzenes and a member of pyrroles.

Namen und Bezeichner

Bevorzugter Name: 1-Phenylpyrrole
IUPAC: 1-phenylpyrrole
Lokaler Name: 1-Phenylpyrrol
Englischer Name: 1-PHENYLPYRROLE
Summenformel: C10H9N
Molmasse: 143.19

Namen und Synonyme

1-Phenylpyrrole635-90-5N-Phenylpyrrole3OD6N6545HNSC-16581DTXSID60212905RefChem:77010DTXCID50135396211-242-31-PHENYL-1H-PYRROLEPyrrole, 1-phenyl-1H-Pyrrole, 1-phenyl-

Weitere Namen anzeigen

N-Pyrrolobenzene1-phenylpyridinephenyl-1H-pyrrole1-Phenylpyrrole>1-Phenylpyrrole 99%

MFCD000053431-Phenylpyrrole, 99%NSC 16581CHEMBL84459AI3-11735NSC16581BDBM50028961AKOS000285836

Datenbank-Bezeichner

CAS: 635-90-5
PubChem CID: 12480
DTXSID: DTXSID60212905
ChEMBL: CHEMBL84459
ChEBI: CHEBI:234092
UNII: 3OD6N6545H
EC Number: 211-242-3
Nikkaji: J101.281I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 4,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-60 °C (lit.)
Siedepunkt: 234 °C · 234 °C (lit.)
Dichte: 0.97 · 0.97
Brechungsindex: 1.5 · 1.5000 (estimate)
Flammpunkt: 95 ℃ · 95℃
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: -5.3 · -5.30±0.30(Predicted)
Farbe: White to Yellow to Orange
BRN: 109798 · 109798
InChI: 1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H
InChIKey: GEZGAZKEOUKLBR-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-n2cccc2
CAS Datenbank: 635 · 635-90-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: 1H-Pyrrole, 1-phenyl-

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29339980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden1-Phenylpyrrole was used to study the half-wave potentials of the aqueous redox couples and the oxidation potentials of the monomers in 1,2-dichloroethane.