α-(2,4-Dichlorphenyl)-1H-imidazol-1-ethanol

1-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)ETHANOL · Imidazole alcohol · IMIDAZOLE ETHANOL · 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol · t824 · r14821 · MIC III · SQ-13283

https://huagongshe.com/de/chemical/32238

Molekülstruktur von α-(2,4-Dichlorphenyl)-1H-imidazol-1-ethanol

Identifikatoren & physikalische Daten

CAS No.	24155-42-8
Summenformel	C11H10Cl2N2O
Durchschnittliche Molmasse	257,11 g/mol
Monoisotopische Masse	256,0170183 g/mol
SMILES	OC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIKey	UKVLTPAGJIYSGN-UHFFFAOYSA-N
PubChem CID	32238
ChEMBL	CHEMBL1327
EC No.	246-042-5
DTXSID	DTXSID3074737
Lokaler Name	α-(2,4-Dichlorphenyl)-1H-imidazol-1-ethanol

Chemische & physikalische Eigenschaften

XLogP	2,6
Polarare Oberfläche (TPSA)	38,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	16
Formalladung	0
Komplexität	230
Schmelzpunkt	134-138 °C
Siedepunkt	468.5±45.0 °C(Predicted)
Dichte	1.4133 (rough estimate)
Dampfdruck	0Pa at 20℃
Brechungsindex	1.5500 (estimate)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)1300 g/L (20 ºC)
pKa (Säurekonstante)	12.25±0.20(Predicted)
Aggregatzustand	solid
Farbe	White to Pale Yellow
InChI	1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
InChIKey	UKVLTPAGJIYSGN-UHFFFAOYSA-N
SMILES	OC(Cn1ccnc1)c2ccc(Cl)cc2Cl
LogP (Verteilungskoeffizient)	2.31 at 20℃
CAS Datenbank	24155-42-8(CAS DataBase Reference)
EPA chemische Informationen	1H-Imidazole-1-ethanol, ?-(2,4-dichlorophenyl)- (24155-42-8)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (81%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (15.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (17.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (39.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (15.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (15.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H371 (15.5%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]H400 (17.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H411 (19%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 8 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.
Regulatorische Informationen	Status: Active Update: 21-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18973Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12252
Hazard Classes and Categories	Acute Tox. 4 (81%)Acute Tox. 4 (15.5%)Skin Irrit. 2 (17.2%)Eye Irrit. 2 (39.7%)STOT SE 3 (15.5%)STOT SE 2 (15.5%)Aquatic Acute 1 (17.2%)Aquatic Chronic 2 (19%)

Anwendungen & Verwendung

Verwenden

Intermediate in the preparation of Miconazole. An impurity in the synthesis of Fenticonazole. An impurity in the synthesis of Ketoconazole.