Grundinformationen
- Standard-SMILES
OC(Cn1ccnc1)c1ccc(Cl)cc1Cl- InChIKey
UKVLTPAGJIYSGN-UHFFFAOYSA-N- Summenformel
- C11H10Cl2N2O
- Durchschnittliche Molmasse
- 257,11 g/mol
- Monoisotopische Masse
- 256,0170183
Namen und Bezeichner
- Bevorzugter Name
- (+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
- IUPAC
- 1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
- Lokaler Name
- α-(2,4-Dichlorphenyl)-1H-imidazol-1-ethanol
- Englischer Name
- alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
- Summenformel
- C11H10Cl2N2O
- Molmasse
- 257.12
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
24155-42-8- PubChem CID
- 32238
- DTXSID
DTXSID3074737- ChEMBL
CHEMBL1327- UNII
- CP4AM80T68
- EC Number
- 246-042-5
- Nikkaji
- J86.829I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 38,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 230
Physikochemische Eigenschaften
- Schmelzpunkt
- 134 · 134-138 °C
- Siedepunkt
- 468.5 · 468.5±45.0 °C(Predicted)
- Dichte
- 1.4133 · 1.4133 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 12.25 · 12.25±0.20(Predicted)
- Aggregatzustand
- solid
- Farbe
- White to Pale Yellow
- Wasserlöslichkeit
- 1300 g/L · 1300 g/L (20 ºC)
- 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
- 2.31 at · 2.31 at 20℃
- CAS Datenbank
- 24155 · 24155-42-8(CAS DataBase Reference)
- EPA chemische Informationen
- 1 H-Imidazole-1-ethanol, · 1H-Imidazole-1-ethanol, ?-(2,4-dichlorophenyl)- (24155-42-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (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 exposure; Respiratory 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.
Gefahrenhinweise
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933290000
- RTECS-Nr.
- NI5485000
- risk_code
- 22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 38-28B-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenIntermediate in the preparation of Miconazole. An impurity in the synthesis of Fenticonazole. An impurity in the synthesis of Ketoconazole.
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