Ethanone,1-(2,4,5-trichlorophenyl)- supplier

Name
1-(2,4,5-trichlorophenyl)ethan-1-one
EINECS 235-954-9
CAS No. 13061-28-4
Article Data11
CAS DataBase
Density 1.425 g/cm³
Solubility
Melting Point
Formula C₈H₅Cl₃O
Boiling Point 292.7 °C at 760 mmHg
Molecular Weight 223.486
Flash Point 122.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,2',4',5'-trichloro- (7CI,8CI);2',4',5'-Trichloroacetophenone;
PSA 17.07000
LogP 3.84940

Synthetic route

: 75-36-5
acetyl chloride

: 120-82-1
1,2,4-Trichlorobenzene

: 13061-28-4
2,4,5-trichloroacetophenone

Conditions

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

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

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

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

Conditions	Yield
With benzene Erwaermen des Reaktionsgemisches;

: 108-24-7
acetic anhydride

: 120-82-1
1,2,4-Trichlorobenzene

: 13061-28-4
2,4,5-trichloroacetophenone

Conditions

Conditions	Yield
With aluminium trichloride

: 6951-70-8
1-(2-amino-4,5-dichloro-phenyl)-ethanone

: 13061-28-4
2,4,5-trichloroacetophenone

Conditions

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

: methyl 3-oxo-3-(2,4,5-trichlorophenyl)propanoate

Conditions

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

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

Conditions	Yield
(i) PCl5, benzene-1,4-diol, (ii) KOH; Multistep reaction;

: 13061-28-4
2,4,5-trichloroacetophenone

: 14299-54-8
1-(2,4,5-trichloro-phenyl)-ethanol

Conditions

Conditions	Yield
With sodium tetrahydroborate
With sodium hydroxide; sodium tetrahydroborate

: 13061-28-4
2,4,5-trichloroacetophenone

: 27704-42-3
ω,ω,ω,2,4,5-Hexachloracetophenon

Conditions

Conditions	Yield
With chlorine Irradiation;

: 13061-28-4
2,4,5-trichloroacetophenone

: 1835-89-8
2,4,5-trichloro-styrene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaBH4, aq. NaOH 2: KHSO4, benzene-1,2-diol View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: 6510-81-2
cis-2-(4-Chlor-phenylthio)-1-(2,4,5-trichlor-phenyl)-ethylen

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) PCl5, benzene-1,4-diol, (ii) KOH 2: NaOtBu View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: 875894-70-5
trans-1-(2,4,5-Trichlor-phenyl)-2-(4-chlor-phenylthio)-ethylen

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) PCl5, benzene-1,4-diol, (ii) KOH View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: 6178-29-6
cis-2-(4-Chlor-phenylsulfonyl)-1-(2,4,5-trichlor-phenyl)-ethylen

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) PCl5, benzene-1,4-diol, (ii) KOH 2: NaOtBu 3: aq. H2O2 View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: 6178-13-8
trans-2-(4-Chlor-phenylsulfonyl)-1-(2,4,5-trichlor-phenyl)-ethylen

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) PCl5, benzene-1,4-diol, (ii) KOH 3: aq. H2O2 View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: 92167-19-6
cis-1-(2,4,5-Trichlor-phenyl)-2-(2,4,5-trichlor-phenylthio)-ethylen

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) PCl5, benzene-1,4-diol, (ii) KOH 2: NaOtBu View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: 92167-19-6
trans-1-(2,4,5-Trichlor-phenyl)-2-(2,4,5-trichlor-phenylthio)-ethylen

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) PCl5, benzene-1,4-diol, (ii) KOH View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: 6178-30-9
cis-1-(2,4,5-Trichlor-phenyl)-2-(2,4,5-trichlor-phenylsulfonyl)-ethylen

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) PCl5, benzene-1,4-diol, (ii) KOH 2: NaOtBu 3: aq. H2O2 View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: 6510-76-5
trans-1-(2,4,5-Trichlor-phenyl)-2-(2,4,5-trichlor-phenylsulfonyl)-ethylen

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) PCl5, benzene-1,4-diol, (ii) KOH 3: aq. H2O2 View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: Dimethyl-phosphoramidic acid 2,2-dichloro-1-(2,4,5-trichloro-phenyl)-vinyl ester methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Cl2 / Irradiation 2: benzene View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: Dimethyl-phosphoramidic acid 2,2-dichloro-1-(2,4,5-trichloro-phenyl)-vinyl ester ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Cl2 / Irradiation 2: benzene View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: Diethyl-phosphoramidic acid 2,2-dichloro-1-(2,4,5-trichloro-phenyl)-vinyl ester methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Cl2 / Irradiation 2: benzene View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: Diethyl-phosphoramidic acid 2,2-dichloro-1-(2,4,5-trichloro-phenyl)-vinyl ester ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Cl2 / Irradiation 2: benzene View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: methyl 6,7-dichloro-2-[N-(4-fluorophenyl)amino]-4-oxo-4H-1-benzothiopyran-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 3-acetyl-2,5-dichlorothiophene; sodium hydride / 2 h / 84 - 86 °C 2.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h 2.2: 145 - 150 °C View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: methyl 2-[N-(4-chlorophenyl)amino]-6,7-dichloro-4-oxo-4H-1-benzothiopyran-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 3-acetyl-2,5-dichlorothiophene; sodium hydride / 2 h / 84 - 86 °C 2.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h 2.2: 145 - 150 °C View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: methyl 6,7-dichloro-2-[N-(1-naphthyl)amino]-4-oxo-4H-1-benzothiopyran-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 3-acetyl-2,5-dichlorothiophene; sodium hydride / 2 h / 84 - 86 °C 2.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h 2.2: 145 - 150 °C View Scheme

: 13061-28-4
2,4,5-trichloroacetophenone

: methyl 2-[N-(1-adamantyl)amino]-6,7-dichloro-4-oxo-4H-1-benzothiopyran-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 3-acetyl-2,5-dichlorothiophene; sodium hydride / 2 h / 84 - 86 °C 2.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h 2.2: 145 - 150 °C View Scheme

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

Product Name

1-(2,4,5-trichlorophenyl)ethan-1-one

Synthetic route

Ethanone,1-(2,4,5-trichlorophenyl)- Specification

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