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2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)-

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Name

2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)-

EINECS N/A
CAS No. 3274-12-2 Density 1.419 g/cm3
PSA 17.07000 LogP 3.05800
Solubility N/A Melting Point 103-104℃ (ligroine )
Formula C8H7Cl3O Boiling Point 289 °C at 760 mmHg
Molecular Weight 225.502 Flash Point 120.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3274-12-2 (4-METHYL-4-TRICHLOROMETHYL-2,5-CYCLOHEXADIEN-1-ONE)) Hazard Symbols N/A
Synonyms

4-Methyl-4-(trichloromethyl)-2,5-cyclohexadienone;4-Methyl-4-trichloromethyl-2,5-cyclohexadien-1-one;NSC 407523;

Article Data 12

2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)- Synthetic route

56-23-5

tetrachloromethane

106-44-5

p-cresol

3274-12-2

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

Conditions
ConditionsYield
With aluminum (III) chloride In 1,2-dichloro-ethane at 5 - 38℃; for 2h; Solvent; Temperature;34%
With aluminium trichloride In carbon disulfide at 45℃; for 2h;30%
With aluminium trichloride at 100℃;
56-23-5

tetrachloromethane

106-44-5

p-cresol

A

3274-12-2

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

B

95258-01-8

4-chloro-5-methyl-2,4,6-cycloheptatrien-1-one

Conditions
ConditionsYield
With aluminium trichloride Heating;A 12%
B 0.007 g
56-23-5

tetrachloromethane

7446-70-0

aluminium trichloride

106-44-5

p-cresol

3274-12-2

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

3274-12-2

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

81294-21-5

4-methyl-4-trichloromethyl-2,5-cyclohexadien-1-one oxime

Conditions
ConditionsYield
With hydroxylamine hydrochloride In pyridine; ethanol at 85℃; for 5h;94%
With ethanol; hydroxylamine hydrochloride; water Behandeln mit Natronlauge;
3274-12-2

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

104-94-9

4-methoxy-aniline

A

39253-43-5

N-(4-methylphenyl)-4-methoxyaniline

B

129332-85-0

(4-Methoxy-phenyl)-(4-methyl-4-trichloromethyl-cyclohexa-2,5-dienylidene)-amine

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene Heating; 24-28 h;A 4%
B 87%
3274-12-2

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

62-53-3

aniline

A

620-84-8

4-methyldiphenylamine

B

51590-71-7

1-Phenylimino-4-methyl-4-trichloromethyl-2,5-cyclohexadiene

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene Heating; 24-28 h;A 12%
B 86%
With toluene-4-sulfonic acid In toluene Heating; 24-28 h, other activating reagent; other arylamines;A 12%
B 84%

bis(ethylene)rhodium(I) chloride dimer

3274-12-2

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

186820-98-4

(C8H7Cl3O)2Rh2Cl2

Conditions
ConditionsYield
In dichloromethane stirring (3 h, 20°C); evapn., washing (Et2O), drying (vac.); elem. anal.;80%
3274-12-2

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

540-37-4

p-aminoiodobenzene

129332-88-3

(4-Iodo-phenyl)-(4-methyl-4-trichloromethyl-cyclohexa-2,5-dienylidene)-amine

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene Heating; 24-28 h;78%
3274-12-2

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

542-92-7

cyclopenta-1,3-diene

185307-47-5

1-cyclopentadienylidene-4-methyl-4-trichloromethylcyclohexa-2,5-diene

Conditions
ConditionsYield
With pyrrolidine In methanol at 20℃; for 1.5h; Condensation;78%
3274-12-2

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

23719-80-4

cyclopropylmagnesium bromide

C11H13Cl3O

Conditions
ConditionsYield
Grignard Reaction;75%

2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)- Specification

The 2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)-, with the CAS registry number 3274-12-2, is also known as 4-Trichloromethyl-4-methyl-2,5-cyclohexadienone. This chemical's molecular formula is C8H7Cl3O and molecular weight is 225.499580. Its IUPAC name is called 4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one.

Physical properties of 2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)-: (1)ACD/LogP: 2.55; (2)#H bond acceptors: 1; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 0; (5)Index of Refraction: 1.548; (6)Molar Refractivity: 50.46 cm3; (7)Molar Volume: 158.8 cm3; (8)Surface Tension: 44.6 dyne/cm; (9)Density: 1.419 g/cm3; (10)Flash Point: 120.6 °C; (11)Enthalpy of Vaporization: 52.82 kJ/mol; (12)Boiling Point: 289 °C at 760 mmHg; (13)Vapour Pressure: 0.00226 mmHg at 25°C.

Preparation of 2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)-: this chemical can be prepared by 4-methyl-phenol and tetrachloromethane. This reaction will need reagent aluminium chloride. The reaction temperature is 100 °C.

2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)- can be prepared by 4-methyl-phenol and tetrachloromethane

Uses of 2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)-: it can be used to produce 4-methyl-4-trichloromethyl-cyclohexa-2,5-dienone oxime. This reaction will need reagents alcohol, water and hydroxylamine hydrochloride.

2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)- can be used to produce 4-methyl-4-trichloromethyl-cyclohexa-2,5-dienone oxime

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)C/1(/C=C\C(=O)\C=C\1)C
(2)InChI: InChI=1/C8H7Cl3O/c1-7(8(9,10)11)4-2-6(12)3-5-7/h2-5H,1H3
(3)InChIKey: RCHALGLCCGJUAE-UHFFFAOYAU

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