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64248-60-8

Basic Information
CAS No.: 64248-60-8
Name: 2,6-Difluorobenzotrifluoride
Article Data: 3
Molecular Structure:
Molecular Structure of 64248-60-8 (2,6-Difluorobenzotrifluoride)
Formula: C7H3F5
Molecular Weight: 182.093
Synonyms: 2,6-Difluorobenzotrifluoride;
Density: 1.386 g/cm3
Boiling Point: 121 °C at 760 mmHg
Flash Point: 32.7 °C
Hazard Symbols: IrritantXi
PSA: 0.00000
LogP: 2.98360
Synthetic route
palladium on A-charcoal

palladium on A-charcoal

112860-78-3

3,5-dichloro-2,6-difluorobenzotrifluoride

64248-60-8

1,3-difluoro-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
With sodium acetate In water; acetic acid
5509-65-9

2,6-difluoroaniline

77152-08-0

trifluoromethylcopper(I)

A

372-18-9

1,3-Difluorobenzene

B

64248-60-8

1,3-difluoro-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
Stage #1: 2,6-difluoroaniline With hydrogen fluoride; sodium nitrite In water; acetonitrile at 0℃; Inert atmosphere;
Stage #2: trifluoromethylcopper(I) In water; N,N-dimethyl-formamide; acetonitrile at 0℃; for 0.25h; Inert atmosphere; Overall yield = 27 %Spectr.;
110-85-0

piperazine

64248-60-8

1,3-difluoro-2-(trifluoromethyl)benzene

946399-80-0

1-(3-fluoro-2-(trifluoromethyl)phenyl)piperazine

Conditions
ConditionsYield
at 90℃; for 16h;73.4%
124-38-9

carbon dioxide

64248-60-8

1,3-difluoro-2-(trifluoromethyl)benzene

2,4-difluoro-3-(trifluoromethyl)benzoic acid

Conditions
ConditionsYield
Stage #1: 1,3-difluoro-2-(trifluoromethyl)benzene With n-butyllithium In tetrahydrofuran; diethyl ether at -70 - -65℃; for 1h;
Stage #2: carbon dioxide In tetrahydrofuran; diethyl ether at -65 - 30℃; for 5h;
Stage #3: With hydrogenchloride In tetrahydrofuran; diethyl ether; water
72%
64248-60-8

1,3-difluoro-2-(trifluoromethyl)benzene

952233-12-4

(3-Fluoro-2-trifluoromethyl-phenyl)-hydrazine hydrochloride

Conditions
ConditionsYield
With hydrazine In dimethyl sulfoxide at 20℃; for 16h;67%
64248-60-8

1,3-difluoro-2-(trifluoromethyl)benzene

68-12-2, 33513-42-7

N,N-dimethyl-formamide

2,4-difluoro-3-(trifluoromethyl)benzaldehyde

Conditions
ConditionsYield
Stage #1: 1,3-difluoro-2-(trifluoromethyl)benzene With n-butyllithium In tetrahydrofuran; cyclohexane at -70℃; for 0.5h; Inert atmosphere;
Stage #2: N,N-dimethyl-formamide In tetrahydrofuran; cyclohexane at -70℃; for 2h;
65%
288-32-4

1H-imidazole

64248-60-8

1,3-difluoro-2-(trifluoromethyl)benzene

C13H9F3N4

Conditions
ConditionsYield
With potassium phosphate In N,N-dimethyl-formamide at 135℃; for 72h;40%
64248-60-8

1,3-difluoro-2-(trifluoromethyl)benzene

2,3-dihydroimidazo[1,2-c]quinazolin-9-ol

9-(3-fluoro-2-(trifluoromethyl)phenoxy)-2,3-dihydroimidazo[1,2-c]quinazoline

Conditions
ConditionsYield
Stage #1: 1,3-difluoro-2-(trifluoromethyl)benzene With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.5h;
Stage #2: 2,3-dihydroimidazo[1,2-c]quinazolin-9-ol In N,N-dimethyl-formamide; mineral oil at 20℃;
37%
64248-60-8

1,3-difluoro-2-(trifluoromethyl)benzene

123973-36-4

1,3-difluoro-4-nitro-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
With sulfuric acid; nitric acid
With sulfuric acid; nitric acid In dichloromethane
1217349-81-9

5-(benzyloxy)-3H-imidazo[4,5-b]pyridine

64248-60-8

1,3-difluoro-2-(trifluoromethyl)benzene

1217350-42-9

5-(benzyloxy)-3-(3-fluoro-2-(trifluoromethyl)phenyl)-3H-imidazo[4,5-b]pyridine

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 80℃;
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Specification

The Benzene,1,3-difluoro-2-(trifluoromethyl)-, with the CAS registry number 64248-60-8, is also known as 2,6-Difluorobenzotrifluoride. This chemical's molecular formula is C7H3F5 and molecular weight is 182.0907. Its systematic name is called 1,3-difluoro-2-(trifluoromethyl)benzene. When you are using this chemical, please be cautious about it, it may cause inflammation to the skin or other mucous membranes. 

Physical properties of Benzene,1,3-difluoro-2-(trifluoromethyl)-: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 107.8; (6)ACD/BCF (pH 7.4): 107.8; (7)ACD/KOC (pH 5.5): 992.12; (8)ACD/KOC (pH 7.4): 992.12; (9)Index of Refraction: 1.391; (10)Molar Refractivity: 31.22 cm3; (11)Molar Volume: 131.3 cm3; (12)Surface Tension: 20.2 dyne/cm; (13)Density: 1.386 g/cm3; (14)Flash Point: 32.7 °C; (15)Enthalpy of Vaporization: 34.43 kJ/mol; (16)Boiling Point: 121 °C at 760 mmHg; (17)Vapour Pressure: 17.8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(F)cccc1F
(2)InChI: InChI=1/C7H3F5/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
(3)InChIKey: NKKFHDNJRMWBFS-UHFFFAOYAK