1-Phenylimidazole

HCID 81595CAS 7164-98-9

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Grundinformationen

Standard-SMILES: c1ccc(-n2ccnc2)cc1
InChIKey: SEULWJSKCVACTH-UHFFFAOYSA-N
Summenformel: C9H8N2
Durchschnittliche Molmasse: 144,17 g/mol
Monoisotopische Masse: 144,06874826

Namen und Bezeichner

Bevorzugter Name: 1-Phenylimidazole
IUPAC: 1-phenylimidazole
Englischer Name: 1-Phenylimidazole
Summenformel: C9H8N2
Molmasse: 144.17

Namen und Synonyme

1-Phenylimidazole7164-98-9N-PhenylimidazoleDTXSID10221885RefChem:435716DTXCID40144376627-543-11-Phenyl-1H-imidazolePhenylimidazole1H-Imidazole, 1-phenyl-MFCD00041204CHEMBL275066

Weitere Namen anzeigen

1-Phenylimidazole>1-Phenylimidazole 97%1-Phenylimidazole,97%1-Phenylimidazole ,98%1-Phenyl-1H-imidazole 98%(1H-Imidazol-1-yl)benzene

1H-Imidazole, phenyl-Imidazole, 1-phenyl-N-(phenyl)imidazole1-Phenylimidazole, 97%SCHEMBL4511-Phenyl-1H-imidazole #SCHEMBL63013MLS001074869

Datenbank-Bezeichner

CAS: 7164-98-9
PubChem CID: 81595
DTXSID: DTXSID10221885
ChEMBL: CHEMBL275066
ChEBI: CHEBI:232094
EC Number: 627-543-1
Nikkaji: J271.230J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 17,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 119

Experimentelle und physikochemische Eigenschaften

Solubility19.7 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 13 °C · 13 °C (lit.)
Siedepunkt: 142 °C/15 · 142 °C/15 mmHg (lit.)
Dichte: 1.14 g/mL · 1.14 g/mL at 25 °C (lit.)
Brechungsindex: 1.599 · 1.599-1.601
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
pka: 5.45 · 5.45±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear light yellow to yellow
Wichte: 1.14 · 1.140
Wasserlöslichkeit: Slightly soluble in water.
BRN: 112356 · 112356
InChI: 1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
InChIKey: SEULWJSKCVACTH-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-n2ccnc2
CAS Datenbank: 7164 · 7164-98-9(CAS DataBase Reference)
NIST chemische Informationen: 1 H-Imidazole, · 1H-Imidazole, 1-phenyl-(7164-98-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (87%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (87%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (87%)；Acute Tox. 4 (87%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (87%)；STOT SE 3 (89.1%)

Sicherheitsdaten

wgk: 3
hs_code: 29332900
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden1-Phenylimidazole is a suitable reagent used to investigate its effect on the citrulline formation by bovine brain nitric-oxide synthase.