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CAS No.: | 1550-35-2 |
---|---|
Name: | 2,4-Difluorobenzaldehyde |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C7H4F2O |
Molecular Weight: | 142.105 |
Synonyms: | 4-Fluoro-2-fluorobenzaldehyde; |
EINECS: | 216-287-2 |
Density: | 1.297 g/cm3 |
Melting Point: | 2-3 °C(lit.) |
Boiling Point: | 168.572 °C at 760 mmHg |
Flash Point: | 64.276 °C |
Appearance: | Colorless to slightly yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 10-36/37/38 |
Safety: | 26-36-37/39-16 |
Transport Information: | UN 1989 3/PG 3 |
PSA: | 17.07000 |
LogP: | 1.77730 |
2,4-difluorobenzyl alcohol
2,4-difluorobenzaldehyde
Conditions | Yield |
---|---|
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper diacetate In water; acetonitrile at 20℃; for 6h; Green chemistry; | 89% |
With nitric acid; ytterbium(III) triflate In 1,2-dichloro-ethane for 2h; Oxidation; Heating; | 80% |
Conditions | Yield |
---|---|
With rhodium(III) chloride trihydrate; hydrogen; triethylamine; triphenylphosphine In N,N-dimethyl acetamide at 90℃; under 7500.75 Torr; for 12h; Autoclave; | 76% |
2,4-difluorobromobenzene
formic acid ethyl ester
A
2,4-difluorobenzaldehyde
B
bis-(2,4-difluorophenyl)methanol
Conditions | Yield |
---|---|
With n-butyllithium In diethyl ether; hexane 1.) -78 deg C, 30 min, 2.) -78 to 20 deg C, overnight; | A 12.8% B 74% |
2,4-dichlorobenzaldeyhde
A
2,4-difluorobenzaldehyde
B
2-chloro-4-fluorobenzaldehyde
C
4-chloro-2-fluorobenzaldehyde
Conditions | Yield |
---|---|
With potassium fluoride In sulfolane at 220℃; for 12h; Product distribution; also with other 1) molar ratios, 2) solvents, 3) temperatures, 4) times; | A 66% B 7% C 5% |
With potassium fluoride In sulfolane at 220℃; for 12h; | A 66% B 7% C 5% |
With potassium fluoride In sulfolane at 220℃; for 12h; Yield given. Title compound not separated from byproducts; | A 13% B n/a C n/a |
1-(azidomethyl)-2,4-difluorobenzene
2,4-difluorobenzaldehyde
Conditions | Yield |
---|---|
With sodium dithionite; spermwhale myoglobin (H64V,V68A) In methanol; aq. phosphate buffer at 20℃; for 24h; pH=7; Catalytic behavior; | 60% |
With sodium dithionite In methanol; aq. phosphate buffer at 20℃; for 24h; pH=7; Catalytic behavior; Enzymatic reaction; |
Conditions | Yield |
---|---|
With potassium fluoride; 18-crown-6 ether; tetraphenylphosphonium bromide at 230℃; for 7h; | 49% |
N-(2,4-difluorobenzyl) N-(2-cyanoethyl)-4-methylaniline
A
2,4-difluorobenzaldehyde
B
3-(2-Dimethylaminomethyl-4-methyl-phenylamino)-propionitrile
C
N-(2-cyanoethyl) N-(2,4-difluorobenzyl)-2-amino-5-methylbenzaldehyde
Conditions | Yield |
---|---|
With water; trichlorophosphate In N,N-dimethyl-formamide Vilsmeier reaction; | A 30% B 39% C 42.5% |
With trichlorophosphate In N,N-dimethyl-formamide Vilsmeier reaction; | A 30% B 39% C 42.5% |
Dichloromethyl methyl ether
1,3-Difluorobenzene
A
bis(2,4-difluorophenyl)chloromethane
B
2,4-difluorobenzaldehyde
Conditions | Yield |
---|---|
With aluminum (III) chloride In dichloromethane | A n/a B 33% C n/a |
Conditions | Yield |
---|---|
With sodium molybdate; dihydrogen peroxide; sodium bromide In acetic acid at 105℃; for 0.111111h; Temperature; | 31.1% |
With chlorine anschliessenden Erwaermen mit H2SO4; | |
With bromine anschliessenden Erwaermen mit H2SO4; |
2,4-difluorobenzaldehyde
Conditions | Yield |
---|---|
With acetic acid |
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The 2,4-Difluorobenzaldehyde, with the CAS registry number 1550-35-2, is also known as 4-Fluoro-2-fluorobenzaldehyde. It belongs to the product categories of Fluorin-contained benzaldehyde series; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Fluorobenzene; Fluorobenzaldehyde Series; Aldehydes; C7; Carbonyl Compounds. Its EINECS number is 216-287-2. This chemical's molecular formula is C7H4F2O and molecular weight is 142.10. What's more, its systematic name is 2,4-Difluorobenzaldehyde. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, air and alkali. It should be ensured that the workshop is well ventilated or equipped with exhaust devices. It is used as intermediates in medicine, pesticide and liquid crystal materials.
Physical properties of 2,4-Difluorobenzaldehyde are: (1)ACD/LogP: 1.198; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.20; (4)ACD/LogD (pH 7.4): 1.20; (5)ACD/BCF (pH 5.5): 4.79; (6)ACD/BCF (pH 7.4): 4.79; (7)ACD/KOC (pH 5.5): 106.82; (8)ACD/KOC (pH 7.4): 106.82; (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: 1.514; (14)Molar Refractivity: 32.993 cm3; (15)Molar Volume: 109.519 cm3; (16)Polarizability: 13.08×10-24cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.297 g/cm3; (19)Flash Point: 64.276 °C; (20)Enthalpy of Vaporization: 40.501 kJ/mol; (21)Boiling Point: 168.572 °C at 760 mmHg; (22)Vapour Pressure: 1.6 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(F)cc1F
(2)Std. InChI: InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
(3)Std. InChIKey: WCGPCBACLBHDCI-UHFFFAOYSA-N