(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol

HCID 32238

Basic information

CAS
24155-42-8
Standard SMILES
OC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIKey
UKVLTPAGJIYSGN-UHFFFAOYSA-N
Molecular formula
C11H10Cl2N2O
Average molar mass
257.11 g/mol
Monoisotopic mass
256.0170183

Names & identifiers

Preferred name
(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
IUPAC
1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
English name
alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
Molecular formula
C11H10Cl2N2O
Molecular weight
257.12

Names & synonyms

24155-42-8CP4AM80T681H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-1-(2-(2,4-Dichlorophenyl)-2-hydroxyethyl)-1H-imidazole1-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]-1H-imidazoleRefChem:390687(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanolalpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
Show more names
Imidazole alcoholIMIDAZOLE ETHANOLt824r14821MIC IIISQ-132831-[2-(2,4-DichL)-2-hydroxyethyL
MFCD000447081-(2,4-DICHLORO-PHENYL)-2-IMIDAZOL-1-YL-ETHANOLCHEMBL13271-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]imidazole(1RS)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol1-(2,4-dichlorophenyl)-2-imidazolylethan-1-olEINECS 246-042-5BRN 0617090

Database identifiers

CAS
24155-42-8
PubChem CID
32238
DTXSID
DTXSID3074737
ChEMBL
CHEMBL1327
UNII
CP4AM80T68
EC Number
246-042-5
Nikkaji
J86.829I

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
38.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
134 · 134-138 °C
Boiling point
468.5 · 468.5±45.0 °C(Predicted)
Density
1.4133 · 1.4133 (rough estimate)
vapor pressure
0 Pa · 0Pa at 20℃
refractive index
1.55 · 1.5500 (estimate)
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory InformationStatus: Active Update: 21-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18973;Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12252
Hazard Classes and CategoriesAcute Tox. 4 (81%);Acute Tox. 4 (15.5%);Skin Irrit. 2 (17.2%);Eye Irrit. 2 (39.7%);Acute Tox. 4 (15.5%);STOT SE 3 (15.5%);STOT SE 2 (15.5%);Aquatic Acute 1 (17.2%);Aquatic Chronic 2 (19%)

Regulatory information

Regulatory InformationStatus: Active Update: 21-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18973;Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12252

Safety data

wgk
3
rtecs
NI5485000
hs_code
2933290000
risk_code
22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Applications

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

UsesIntermediate in the preparation of Miconazole.An impurity in the synthesis of Fenticonazole.An impurity in the synthesis of Ketoconazole.Econazole EP Impurity A.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东瑞博恩新材料科技有限公司15064961989 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Related reactions

29 records

Compound notes

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