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2-Bromo-2',4'-difluoroacetophenone

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Name

2-Bromo-2',4'-difluoroacetophenone

EINECS N/A
CAS No. 102429-07-2 Density 1.648 g/cm3
PSA 17.07000 LogP 2.54240
Solubility N/A Melting Point 31-35 °C(lit.)
Formula C8H5BrF2O Boiling Point 246.1 °C at 760 mmHg
Molecular Weight 235.028 Flash Point 102.6 °C
Transport Information UN 2925 4.1/PG 2 Appearance N/A
Safety 16-26-36/37/39-45 Risk Codes 11-22-34
Molecular Structure Molecular Structure of 102429-07-2 (2-Bromo-2',4'-difluoroacetophenone) Hazard Symbols FlammableF, CorrosiveC
Synonyms

2,4-Difluorophenacylbromide;2-Bromo-1-(2,4-difluorophenyl)ethanone;2'-Bromo-2,4-difluoroacetophenone;a-Bromo-2,4-difluoroacetophenone;

Article Data 37

2-Bromo-2',4'-difluoroacetophenone Synthetic route

364-83-0

2',4'-difluoroacetophenone

102429-07-2

2-bromo-2',4'-difluoroacetophenone

Conditions
ConditionsYield
With bromine; acetic acid at 10 - 30℃; for 6.25h;97%
With N-Bromosuccinimide; toluene-4-sulfonic acid In dichloromethane at 40℃; for 0.25h; Microwave irradiation; Green chemistry;97%
With copper(ll) bromide In ethanol; chloroform at 80℃; for 10h;87.8%
372-18-9

1,3-Difluorobenzene

598-21-0

2-Bromoacetyl bromide

102429-07-2

2-bromo-2',4'-difluoroacetophenone

Conditions
ConditionsYield
With aluminium trichloride91%
102429-07-2

2-bromo-2',4'-difluoroacetophenone

106-45-6

para-thiocresol

2',4'-difluoro-2-[(4-methylphenyl)thio]acetophenone

Conditions
ConditionsYield
In dimethyl sulfoxide at 20℃; for 15h;99%
504-29-0

2-aminopyridine

102429-07-2

2-bromo-2',4'-difluoroacetophenone

2-(2',4'-difluorophenyl)imidazo[1,2-a]pyridine

Conditions
ConditionsYield
With sodium hydrogencarbonate In methanol at 80℃; for 0.0166667h; Microwave irradiation; Green chemistry;98%
With sodium hydrogencarbonate In ethanol at 80℃; for 12h;95%
With sodium hydrogencarbonate In ethanol at 20℃; for 6h;89%
102429-07-2

2-bromo-2',4'-difluoroacetophenone

97-62-1

Ethyl isobutyrate

145793-68-6

3-(2,4-difluorophenyl)-3,4-epoxy-2,2-dimethylbutanoic acid ethyl ester

Conditions
ConditionsYield
With n-butyllithium; ammonium chloride; sodium hydrogencarbonate; lithium diisopropyl amide In tetrahydrofuran; hexane; water96%
102429-07-2

2-bromo-2',4'-difluoroacetophenone

4-(4-methoxyphenoxy)benzaldehyde thiosemicarbazone

4-(4-methoxyphenoxy)benzaldehyde [4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]hydrazone

Conditions
ConditionsYield
In ethanol at 100℃; under 7500.75 Torr; for 0.0833333h; Hantzsch Thiazole Synthesis; Microwave irradiation;95%
102429-07-2

2-bromo-2',4'-difluoroacetophenone

75-66-1

2-methylpropan-2-thiol

2-(tert-butylthio)-2',4'-difluoroacetophenone

Conditions
ConditionsYield
In dimethyl sulfoxide at 20℃; for 15h;94%
102429-07-2

2-bromo-2',4'-difluoroacetophenone

2-(cyclohex-3-enylmethylene)hydrazinecarbothioamide

2-(2-(cyclohex-3-enylmethylene)hydrazinyl)-4-(2,4-difluorophenyl)thiazole

Conditions
ConditionsYield
In ethanol at 20℃; for 20h; Hantzsch Thiazole Synthesis;94%
94-45-1

2-Amino-6-ethoxybenzothiazole

102429-07-2

2-bromo-2',4'-difluoroacetophenone

2-(2,4-difluorophenyl)-7-ethoxybenzo[d]imidazo[2,1-b]thiazole

Conditions
ConditionsYield
In water; isopropyl alcohol at 100℃; under 11251.1 Torr; Microwave irradiation; Green chemistry;92%
4570-41-6

1,3-benzoxazol-2-amine

102429-07-2

2-bromo-2',4'-difluoroacetophenone

2-amino-3-(2-(2,4-difluorophenyl)-2-oxoethyl)benzo[d]oxazol-3-ium bromide

Conditions
ConditionsYield
In water; isopropyl alcohol at 100℃; under 11251.1 Torr; Microwave irradiation; Green chemistry;92%

2-Bromo-2',4'-difluoroacetophenone Specification

The 2-Bromo-2',4'-difluoroacetophenone with cas registry number of 102429-07-2 belongs to categories of Benzene series; C7 to C8; Carbonyl Compounds; Ketones. This chemical is also known as 2,4-Difluorophenacyl bromide. Its systematic name is named as 2-bromo-1-(2,4-difluorophenyl)ethanone.

Physical properties about this chemical are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.73; (6)ACD/BCF (pH 7.4): 16.73; (7)ACD/KOC (pH 5.5): 261.46; (8)ACD/KOC (pH 7.4): 261.46; (9)#H bond acceptors: 1; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 44 cm3; (15)Molar Volume: 142.5 cm3; (16)Surface Tension: 40.1 dyne/cm; (17)Density: 1.648 g/cm3; (18)Flash Point: 102.6 °C ; (19)Enthalpy of Vaporization: 48.32 kJ/mol ; (20)Boiling Point: 246.1 °C at 760 mmHg ; (21)Vapour Pressure: 0.0276 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is sensitive to lachrymatory. It is highly flammable. Keep away from sources of ignition - No smoking. It is harmful if swallowed. It also can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(F)cc1F)CBr;
(2)InChI: InChI=1/C8H5BrF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2;
(3)InChIKey: CSGDTHXBRAAOHV-UHFFFAOYA

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