2-Phenylimidazol

2-Phenylimidazole

HCID 69591CAS 670-96-2

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Grundinformationen

Standard-SMILES: c1ccc(-c2ncc[nH]2)cc1
InChIKey: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N
Summenformel: C9H8N2
Durchschnittliche Molmasse: 144,17 g/mol
Monoisotopische Masse: 144,06874826

Namen und Bezeichner

Bevorzugter Name: 2-Phenylimidazole
IUPAC: 2-phenyl-1H-imidazole
Lokaler Name: 2-Phenylimidazol
Englischer Name: 2-Phenylimidazole
Summenformel: C9H8N2
Molmasse: 144.17

Namen und Synonyme

2-Phenylimidazole2-Phenyl-1H-imidazole670-96-21H-Imidazole, 2-phenyl-Imidazole, 2-phenyl-CUREZOL 2PZ7R2590HM4LNSC-255226DTXSID7060968RefChem:89086DTXCID6044856211-581-7

Weitere Namen anzeigen

2PZ2PI2-Phenylimidzole2-Phenylimidazol2-Pheny1 imidazoleTIMTEC-BB SBB004131

MFCD00005186CHEMBL141892-phenyl-1h-imidazol2-Phenyl imidazolephenyl imidazole2-phenyl-imidazolePIY2-Phenylimidazole, 98%

Datenbank-Bezeichner

CAS: 670-96-2
PubChem CID: 69591
DTXSID: DTXSID7060968
ChEMBL: CHEMBL14189
UNII: 7R2590HM4L
EC Number: 211-581-7
Nikkaji: J68.948C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 119

Physikochemische Eigenschaften

Schmelzpunkt: 142 · 142-148 °C (lit.)
Siedepunkt: 340 °C · 340 °C
Dichte: 0.6 g/cm3 · 0.6 g/cm3
Dampfdruck: 0.009 Pa · 0.009Pa at 20℃
Brechungsindex: 1.6025 · 1.6025 (estimate)
Flammpunkt: 200 °C · 200 °C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Solubility in methanol (almost transparency).
Aggregatzustand: Powder, Granular or Crystalline Powder
pka: 13 · 13.00±0.10(Predicted)
Farbe: Light yellow to beige
BRN: 114011 · 114011
InChI: 1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11)
InChIKey: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-c2ncc[nH]2
LogP: 1.29 at · 1.29 at 25℃ and pH7.5
CAS Datenbank: 670 · 670-96-2(CAS DataBase Reference)
EPA chemische Informationen: 1 H-Imidazole, · 1H-Imidazole, 2-phenyl- (670-96-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.2% (5 of 227) of reports.

Warning

H302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, 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 227 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1H-Imidazole, 2-phenyl-

Status: Active Update: 08-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23313

2-Phenylimidazole: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (70.9%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29332990
risk_code: 36/37/38-21/22
hazard_code: Xi,Xn
hazard_note: Harmful
safety_code: 26-36-36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Imidazole, 2-phenyl-: ACTIVE

Anwendungen · 2 Einträge

BeschreibungDas 2-Phenylazoimidazol bildet orangerote, wasserunlösliche Tafeln. Die Verbindung besitzt nur wissenschaftliches Interesse.

Verwenden2-Phenylimidazole (2-PI) is used to prepare complex compounds with ruthenium (III) and also as an intermediate for agrochemical, pharmaceutical and specialty products. It also finds its application as a curing agent for epoxy resins and polyurethane.