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CAS No.: | 102429-07-2 |
---|---|
Name: | 2-Bromo-2',4'-difluoroacetophenone |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C8H5BrF2O |
Molecular Weight: | 235.028 |
Synonyms: | 2,4-Difluorophenacylbromide;2-Bromo-1-(2,4-difluorophenyl)ethanone;2'-Bromo-2,4-difluoroacetophenone;a-Bromo-2,4-difluoroacetophenone; |
Density: | 1.648 g/cm3 |
Melting Point: | 31-35 °C(lit.) |
Boiling Point: | 246.1 °C at 760 mmHg |
Flash Point: | 102.6 °C |
Hazard Symbols: | F, C |
Risk Codes: | 11-22-34 |
Safety: | 16-26-36/37/39-45 |
Transport Information: | UN 2925 4.1/PG 2 |
PSA: | 17.07000 |
LogP: | 2.54240 |
2',4'-difluoroacetophenone
2-bromo-2',4'-difluoroacetophenone
Conditions | Yield |
---|---|
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% |
1,3-Difluorobenzene
2-Bromoacetyl bromide
2-bromo-2',4'-difluoroacetophenone
Conditions | Yield |
---|---|
With aluminium trichloride | 91% |
2-bromo-2',4'-difluoroacetophenone
para-thiocresol
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 20℃; for 15h; | 99% |
2-aminopyridine
2-bromo-2',4'-difluoroacetophenone
Conditions | Yield |
---|---|
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% |
2-bromo-2',4'-difluoroacetophenone
Ethyl isobutyrate
3-(2,4-difluorophenyl)-3,4-epoxy-2,2-dimethylbutanoic acid ethyl ester
Conditions | Yield |
---|---|
With n-butyllithium; ammonium chloride; sodium hydrogencarbonate; lithium diisopropyl amide In tetrahydrofuran; hexane; water | 96% |
2-bromo-2',4'-difluoroacetophenone
Conditions | Yield |
---|---|
In ethanol at 100℃; under 7500.75 Torr; for 0.0833333h; Hantzsch Thiazole Synthesis; Microwave irradiation; | 95% |
2-bromo-2',4'-difluoroacetophenone
2-methylpropan-2-thiol
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 20℃; for 15h; | 94% |
2-bromo-2',4'-difluoroacetophenone
Conditions | Yield |
---|---|
In ethanol at 20℃; for 20h; Hantzsch Thiazole Synthesis; | 94% |
2-Amino-6-ethoxybenzothiazole
2-bromo-2',4'-difluoroacetophenone
Conditions | Yield |
---|---|
In water; isopropyl alcohol at 100℃; under 11251.1 Torr; Microwave irradiation; Green chemistry; | 92% |
1,3-benzoxazol-2-amine
2-bromo-2',4'-difluoroacetophenone
Conditions | Yield |
---|---|
In water; isopropyl alcohol at 100℃; under 11251.1 Torr; Microwave irradiation; Green chemistry; | 92% |
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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