Basic information
- CAS
46503-52-0- Standard SMILES
O=C(Cn1ccnc1)c1ccc(Cl)cc1Cl- InChIKey
YAEYBUZMILPYLT-UHFFFAOYSA-N- Molecular formula
- C11H8Cl2N2O
- Average molar mass
- 255.1 g/mol
- Monoisotopic mass
- 254.0013683
Names & identifiers
- Preferred name
- 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-one
- IUPAC
- 1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone
- English name
- 1-(2,4-Dichlorophenyl)-2-(1H-imidazole-1-yl) ethanone
- Molecular formula
- C11H8Cl2N2O
- Molecular weight
- 255.1
Names & synonyms
46503-52-01-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-oneEINECS 256-273-3DTXSID10196862RefChem:420416DTXCID50119353256-273-31-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone1-(2,4-Dichlorophenyl)-2-(1H-imidazole-1-yl) ethanoneMFCD00617550ethanone, 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-
Show more names
AURORA KA-666Miconazole Impurity 28Oxiconazole Related Compound COxiconazole USP Related Compound C1-(2,4-Dichlorobenzoylmethyl)imidaz1-(2,4-Dichlorophenacyl)-1H-imidazole1-(2,4-dichlorobenzoylmethyl)imidazol2',4'-DICHLORO-2-IMIDAZOLYLACETOPHENONE2,4'-Dichloro Phenyl-2-Imidazole-1-Ethanone2'-(1H-iMidazl-1-yl)-2,4-dichloroacetophenone
1-(2,4-Dichlorobenzoylmethyl)imidazoleimazalil TP11-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanoneMiconazole Impurity 29Cambridge id 5308482CHEMBL350843IFLab1_001176SCHEMBL2454118
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 76 · 76-78 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 441.1 · 441.1±35.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder
- pka
- 5.97 · 5.97±0.10(Predicted)
- color
- Orange
- Major Application
- pharmaceutical small molecule
- InChI
- InChI=1S/C11H8Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7H,6H2
- InChIKey
- YAEYBUZMILPYLT-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C(Cl)C=C1Cl)CN1C=NC=C1
- CAS DataBase Reference
- 46503 · 46503-52-0(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- wgk
- WGK 3
- hs_code
- 2933299090
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301-H361
- Precautionary statements
- P301+P310-P260-P280
Chemistry & industry
Applications
UsesThese Reference Materials are suitable for use in several analytical applications including, but not limited to, method development for qualitative and quantitative analyses, daily calibration, and routine quality control testing.
Upstream & downstream products
Downstream products
Suppliers66 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
Related reactions
12 records
Compound notes
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