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Cas Database |
| Name |
3,4-Difluorobenzaldehyde |
EINECS | 422-180-3 |
| CAS No. | 34036-07-2 | Density | 1.297 g/cm3 |
| PSA | 17.07000 | LogP | 1.77730 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H4F2O | Boiling Point | 185.1 °C at 760 mmHg |
| Molecular Weight | 142.105 | Flash Point | 65.6 °C |
| Transport Information | N/A | Appearance | Light yellow clear liquid |
| Safety | 26-36-37/39-36/37 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Benzaldehyde, 3,4-difluoro-; |
Article Data | 21 |
3,4-Difluorobenzaldehyde Synthetic route
- 348-61-8
1-bromo-3,4-difluorobenzene
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 34036-07-2
3,4 difluorobenzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 1-bromo-3,4-difluorobenzene With magnesium; 3,4-difluorophenylmagnesium bromide In tetrahydrofuran; toluene at 0.7 - 30℃; for 1h; Inert atmosphere; Molecular sieve; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran; toluene at 10 - 15℃; for 1.5h; Reagent/catalyst; Solvent; Temperature; Molecular sieve; Inert atmosphere; | 96.2% |
| Stage #1: 1-bromo-3,4-difluorobenzene With iodine; magnesium In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at 0℃; for 0.5h; Inert atmosphere; | 63% |
- 75-29-6
isopropyl chloride
- 348-61-8
1-bromo-3,4-difluorobenzene
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 34036-07-2
3,4 difluorobenzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: isopropyl chloride With iodine; magnesium In tetrahydrofuran at 20 - 40℃; for 5.66667h; Inert atmosphere; Stage #2: 1-bromo-3,4-difluorobenzene In tetrahydrofuran at 0 - 10℃; Stage #3: N,N-dimethyl-formamide In tetrahydrofuran at 0 - 10℃; for 0.666667h; | 86% |
- 348-61-8
1-bromo-3,4-difluorobenzene
- 109-94-4
formic acid ethyl ester
A
- 34036-07-2
3,4 difluorobenzaldehyde
B
- 182192-98-9
bis(3,4-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 5.6% B 80% |
| Conditions | Yield |
|---|---|
| With sodium azide; copper(II) choride dihydrate; oxygen In N,N-dimethyl-formamide at 100℃; for 10h; Schlenk technique; Sealed tube; | A 69% B 65% |
- 85118-05-4
(3,4-difluorophenyl)methanol
A
- 455-86-7
3,4-Difluorobenzoic acid
B
- 34036-07-2
3,4 difluorobenzaldehyde
| Conditions | Yield |
|---|---|
| With peracetic acid; C24H29INO5 In acetic acid at 30℃; for 48h; | A 62% B 18% |
- 2927-34-6
3,4-difluorotoluene
- 34036-07-2
3,4 difluorobenzaldehyde
| Conditions | Yield |
|---|---|
| With sodium molybdate; dihydrogen peroxide; cobalt(II) acetate; acetic acid; sodium bromide at 65℃; Temperature; | 30.7% |
| With bromine; calcium carbonate In dichloromethane | |
| With bromine; calcium carbonate In dichloromethane; water |
- 4885-02-3
Dichloromethyl methyl ether
- 367-11-3
ortho-difluorobenzene
A
- 34036-07-2
3,4 difluorobenzaldehyde
B
- 32248-39-8
tris(3,4-difluorophenyl)methane
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In dichloromethane | A 12% B 26 %Chromat. |
- 348-61-8
1-bromo-3,4-difluorobenzene
- 34036-07-2
3,4 difluorobenzaldehyde
| Conditions | Yield |
|---|---|
| With sodium formate; bis(triphenylphosphine)palladium(II) dichloride In CO; N,N-dimethyl-formamide |
| Conditions | Yield |
|---|---|
| aluminium trichloride In dichloromethyl methylether; dichloromethane |
| Conditions | Yield |
|---|---|
| With bromine; calcium carbonate In dichloromethane | |
| With bromine; calcium carbonate In dichloromethane | |
| With bromine; calcium carbonate In dichloromethane | |
| With bromine; calcium carbonate In dichloromethane |
3,4-Difluorobenzaldehyde Specification
3,4-Difluorobenzaldehyde, with CAS number of 34036-07-2, can be called 3.4-Difluoro benzaldehyde; 3,4-Difluorobenzaldehyde; 3,4-fluorobenzaldehyde. It belongs to the product categories of Fluorin-contained benzaldehyde series; Fluoro-Aromatics; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Miscellaneous; Aromatics; Aldehydes; C7; Carbonyl Compounds; Benzaldehyde series. It is a light yellow clear liquid and can be used for Medicine, Pesticide, intermediates of LCD materials.
Physical properties about 3,4-Difluorobenzaldehyde are: (1)ACD/LogP: 1.672; (2)ACD/LogD (pH 5.5): 1.67; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 10.98; (5)ACD/BCF (pH 7.4): 10.98; (6)ACD/KOC (pH 5.5): 193.38; (7)ACD/KOC (pH 7.4): 193.38; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.514; (11)Molar Refractivity: 32.993 cm3; (12)Molar Volume: 109.519 cm3; (13)Polarizability: 13.08 10-24cm3; (14)Surface Tension: 35.1049995422363 dyne/cm; (15)Density: 1.297 g/cm3; (16)Flash Point: 67.84 °C; (17)Enthalpy of Vaporization: 42.131 kJ/mol; (18)Boiling Point: 185.078 °C at 760 mmHg; (19)Vapour Pressure: 0.709999978542328 mmHg at 25°C
When you are using 3,4-Difluorobenzaldehyde, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing;
3. Wear suitable gloves and eye/face protection;
4. Wear suitable protective clothing and gloves;
You can still convert the following datas into molecular structure:
(1)SMILES:Fc1ccc(C=O)cc1F;
(2)Std. InChI:InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H;
(3)Std. InChIKey:JPHKMYXKNKLNDF-UHFFFAOYSA-N
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