Basic information
- CAS
58905-16-1- Standard SMILES
O=C(Cn1cncn1)c1ccc(Cl)cc1Cl- InChIKey
XOHMICFWUQPTNP-UHFFFAOYSA-N- Molecular formula
- C10H7Cl2N3O
- Average molar mass
- 256.08 g/mol
- Monoisotopic mass
- 254.9966172
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
- IUPAC
- 1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
- English name
- 1-(2,4-Dichlorolphenyl)-2-(1H-1,2,4-triazole-1-yl)-ethanone
- Molecular formula
- C10H7Cl2N3O
- Molecular weight
- 256.09
Names & synonyms
58905-16-11-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethanoneDTXSID50353396RefChem:1053825DTXCID003044591-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one1-(2,4-DICHLOROLPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanoneMFCD002763152',4'-Dichloro-2-(1,2,4 triazol-1yl)acetophenoneCHEMBL20634941-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-Ethanone
Show more names
TercozoleImpurity5Terconazole Impurity 5Propiconazole Impurity 9Propiconazole Metabolite (CGA-91304)2',4'-DICHLORO-2-(1,2,4 TRIAZOL-1YL) ACETOPHENONE1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazole-1-yl)-
1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazole-1-yl)-ethanoneTerconazole Impurity 3XOHMICFWUQPTNP-UHFFFAOYSA-N1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone; 1-(2,4-Dichloro-phenyl)-2-[1,2,4]triazol-1-yl-ethanone; 1-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone; 1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-ethanone; 2',4'-Dichloro-2-(1,2,4-tEthanone, 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-PRP_M256SCHEMBL2550587BDBM50088482
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 160 · 160-161 °C
- Boiling point
- 428.5 · 428.5±55.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 2.03 · 2.03±0.10(Predicted)
- color
- Light Yellow to Dark Yellow
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
Uses1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone is an intermediate in the synthesis of Propiconazole (P770100) related compounds.
Upstream & downstream products
Downstream products
Suppliers34 total
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
欧利希（湖北）医药科技有限公司
Related reactions
33 records
Compound notes
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