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
Show more names
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
- Formal charge
- 0
- Complexity
- 230
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
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 12.25 · 12.25±0.20(Predicted)
- form
- solid
- color
- White to Pale Yellow
- Water Solubility
- 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 DataBase Reference
- 24155 · 24155-42-8(CAS DataBase Reference)
- FDA UNII
- 4 AM80T68 · CP4AM80T68
- EPA Substance Registry System
- 1 H-Imidazole-1-ethanol, · 1H-Imidazole-1-ethanol, ?-(2,4-dichlorophenyl)- (24155-42-8)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 301 · P301+P312+P330-P305+P351+P338
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 38 · 38-28B-36-26
- WGK Germany
- 3 · 3
- RTECS
- 5485000 · NI5485000
- HS Code
- 2933290000 · 2933290000
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
GHS classification
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.
Hazard information
Regulatory information
Safety data
- wgk
- 3
- rtecs
- NI5485000
- hs_code
- 2933290000
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 38-28B-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- REACH Registrations
- Active
- Precautionary statements
- P301+P312+P330-P305+P351+P338
Chemistry & industry
Uses & manufacturing
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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