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Cas Database |
| Name |
Ethanone,1-(2,4,5-trichlorophenyl)- |
EINECS | 235-954-9 |
| CAS No. | 13061-28-4 | Density | 1.425 g/cm3 |
| PSA | 17.07000 | LogP | 3.84940 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H5Cl3O | Boiling Point | 292.7 °C at 760 mmHg |
| Molecular Weight | 223.486 | Flash Point | 122.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acetophenone,2',4',5'-trichloro- (7CI,8CI);2',4',5'-Trichloroacetophenone; |
Article Data | 11 |
Ethanone,1-(2,4,5-trichlorophenyl)- Synthetic route
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride at 20℃; for 3h; | 82% |
| With aluminium trichloride |
- 50-82-8
2,4,5-trichlorobenzoic acid
- 13061-28-4
2,4,5-trichloroacetophenone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: thionyl chloride 2: benzene / Erwaermen des Reaktionsgemisches View Scheme |
- 6575-04-8
2,4,5-tri-chloro-benzonitrile
- 13061-28-4
2,4,5-trichloroacetophenone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: aqueous sulfuric acid / Versetzen des mit Wasser verduennten Reaktionsgemisches mit Natriumnitrit 2: thionyl chloride 3: benzene / Erwaermen des Reaktionsgemisches View Scheme |
- 636-30-6
2,4,5-trichloroaniline
- 13061-28-4
2,4,5-trichloroacetophenone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: aqueous hydrochloric acid; copper (I)-cyanide / Diazotization 2: aqueous sulfuric acid / Versetzen des mit Wasser verduennten Reaktionsgemisches mit Natriumnitrit 3: thionyl chloride 4: benzene / Erwaermen des Reaktionsgemisches View Scheme |
- 18815-73-1
methylzinc iodide
- 42221-49-8
2,4,6-trichlorobenzoyl chloride
- 13061-28-4
2,4,5-trichloroacetophenone
| Conditions | Yield |
|---|---|
| With benzene Erwaermen des Reaktionsgemisches; |
| Conditions | Yield |
|---|---|
| With aluminium trichloride |
- 6951-70-8
1-(2-amino-4,5-dichloro-phenyl)-ethanone
- 13061-28-4
2,4,5-trichloroacetophenone
| Conditions | Yield |
|---|---|
| (i) NaNO2, H2SO4, (ii) CuCl, aq. HCl; Multistep reaction; |
- 616-38-6
carbonic acid dimethyl ester
- 13061-28-4
2,4,5-trichloroacetophenone
| Conditions | Yield |
|---|---|
| With 3-acetyl-2,5-dichlorothiophene; sodium hydride at 84 - 86℃; for 2h; | 84% |
- 64-17-5
ethanol
- 13061-28-4
2,4,5-trichloroacetophenone
- 6178-22-9
1-Ethoxy-2-(2,4,5-trichlor-phenyl)-ethen
| Conditions | Yield |
|---|---|
| (i) PCl5, benzene-1,4-diol, (ii) /BRN= 1718733/, KOH; Multistep reaction; |
- 13061-28-4
2,4,5-trichloroacetophenone
- 6546-87-8
1,2,4-trichloro-5-ethynyl-benzene
| Conditions | Yield |
|---|---|
| (i) PCl5, benzene-1,4-diol, (ii) KOH; Multistep reaction; |
Ethanone,1-(2,4,5-trichlorophenyl)- Specification
The Ethanone,1-(2,4,5-trichlorophenyl)-, with the CAS registry number 13061-28-4, is also known as 1-(2,4,5-Trichlorophenyl)ethan-1-one. Its EINECS registry number is 235-954-9. This chemical's molecular formula is C8H5Cl3O and molecular weight is 223.4837. What's more, its systematic name is called 1-(2,4,5-Trichlorophenyl)ethanone.
Physical properties about Ethanone,1-(2,4,5-trichlorophenyl)- are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 240.16; (6)ACD/BCF (pH 7.4): 240.16; (7)ACD/KOC (pH 5.5): 1760.23; (8)ACD/KOC (pH 7.4): 1760.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 50.96 cm3; (15)Molar Volume: 156.8 cm3; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.425 g/cm3; (18)Flash Point: 122.4 °C; (19)Enthalpy of Vaporization: 53.22 kJ/mol; (20)Boiling Point: 292.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0018 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(C(=O)C)c(Cl)cc1Cl
(2) InChI: InChI=1/C8H5Cl3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
(3) InChIKey: OPPQOJRXXODMKR-UHFFFAOYAF
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