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Cas Database |
| Name |
4-Difluoromethoxy-3-hydroxybenzaldehyde |
EINECS | 216-149-1 |
| CAS No. | 151103-08-1 | Density | 1.883g/cm3 |
| PSA | 46.53000 | LogP | 1.80610 |
| Solubility | N/A | Melting Point |
85-90°C |
| Formula | C8H6 F2 O3 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 188.131 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | R36/37/38; |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-Hydroxy-4-difluoromethoxybenzaldehyde;4-(Difluoromethoxy)-3-hydroxybenzaldehyde |
Article Data | 40 |
4-Difluoromethoxy-3-hydroxybenzaldehyde Synthetic route
- 683-98-7
methyl bromodifluoroacetate
- 139-85-5
3,4-dihydroxybenzaldehyde
- 151103-08-1
4-difluoromethoxy-3-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With hydroxylamine In water; acetonitrile at 45℃; Concentration; Reagent/catalyst; | 90.3% |
- 162401-70-9
4-(difluoromethoxy)-3-methoxybenzaldehyde
- 151103-08-1
4-difluoromethoxy-3-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With potassium carbonate In 1-methyl-pyrrolidin-2-one | 88.3% |
| With lithium chloride In N,N-dimethyl-formamide Reagent/catalyst; Reflux; | 28% |
| Multi-step reaction with 2 steps 1.1: orthoformic acid triethyl ester / boron trifluoride diethyl etherate / diethyl ether / 24 h / Heating / reflux 2.1: lithium diphenylphosphide / tetrahydrofuran / 3 - 4 h 2.2: pH 3 - 4 View Scheme |
- 773093-32-6
C11H12F2O4
- 151103-08-1
4-difluoromethoxy-3-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: C11H12F2O4 With lithium diphenylphosphide In tetrahydrofuran for 3 - 4h; Stage #2: With hydrogenchloride; water pH=3 - 4; | 83% |
- 1514-87-0
metyhyl chlorodifluoroacetate
- 139-85-5
3,4-dihydroxybenzaldehyde
- 151103-08-1
4-difluoromethoxy-3-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With tetrabutylammonium hydrogen sulfide; sodium hydroxide at 60 - 65℃; for 3h; Concentration; | 79.4% |
| With caesium carbonate In N,N-dimethyl-formamide at 20 - 90℃; for 0.5h; Reagent/catalyst; Time; Microwave irradiation; Green chemistry; | 57% |
| With caesium carbonate In N,N-dimethyl-formamide at 90℃; for 0.5h; Microwave irradiation; | 57% |
- 1895-39-2
sodium chlorodifluoroacetate
- 139-85-5
3,4-dihydroxybenzaldehyde
- 151103-08-1
4-difluoromethoxy-3-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With sodium carbonate In water; N,N-dimethyl-formamide at 80℃; for 6h; | 57.5% |
| With sodium hydroxide In water; N,N-dimethyl-formamide at 120℃; for 2h; | 46% |
| Stage #1: sodium chlorodifluoroacetate; 3,4-dihydroxybenzaldehyde With sodium hydroxide In water; N,N-dimethyl-formamide at 120℃; for 2h; Stage #2: With hydrogenchloride In water | 44% |
- 87189-16-0
potassium 2-bromo-2,2-difluoroacetate
- 139-85-5
3,4-dihydroxybenzaldehyde
- 151103-08-1
4-difluoromethoxy-3-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; N,N-dimethyl-formamide at 70℃; for 2h; | 53% |
- 1514-87-0
metyhyl chlorodifluoroacetate
- 139-85-5
3,4-dihydroxybenzaldehyde
A
- 127842-54-0
3,4-bis-(difluoromethoxy)-benzaldehyde
B
- 151103-08-1
4-difluoromethoxy-3-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With caesium carbonate In N,N-dimethyl-formamide at 65℃; for 3h; Inert atmosphere; | A 20% B 45% |
| With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 16h; | A 13% B 21% |
| With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 16h; | A 13% B 21% |
- 577968-58-2
3-(benzyloxy)-4-(difluoromethoxy)benzaldehyde
- 151103-08-1
4-difluoromethoxy-3-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With 5%-palladium/activated carbon; hydrogen In ethyl acetate under 760.051 Torr; for 1h; | 43.7% |
- 75-45-6
Chlorodifluoromethane
- 139-85-5
3,4-dihydroxybenzaldehyde
- 151103-08-1
4-difluoromethoxy-3-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In N,N-dimethyl-formamide for 0.166667h; | 37% |
| With potassium carbonate In N,N-dimethyl-formamide at 80 - 85℃; for 4.5h; | 25% |
| With potassium carbonate In N,N-dimethyl-formamide at 75 - 80℃; | 25.3% |
| Stage #1: 3,4-dihydroxybenzaldehyde With potassium carbonate In N,N-dimethyl-formamide at 20 - 85℃; Stage #2: Chlorodifluoromethane In N,N-dimethyl-formamide for 8 - 10h; Inert atmosphere; |
- 139-85-5
3,4-dihydroxybenzaldehyde
- 76-04-0
2-chloro-2,2-difluoroacetic acid
- 151103-08-1
4-difluoromethoxy-3-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 3,4-dihydroxybenzaldehyde; 2-chloro-2,2-difluoroacetic acid With sodium hydroxide In N,N-dimethyl-formamide at 55℃; for 16h; Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide pH=1.0; | 24% |
4-Difluoromethoxy-3-hydroxybenzaldehyde Chemical Properties
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Systematic Name: 4-(Difluoromethoxy)-3-hydroxybenzaldehyde
SMILES: FC(F)Oc1ccc(cc1O)C=O
InChI: InChI=1/C8H6F2O3/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-4,8,12H
InChIKey: ZLIKNROJGXXNJG-UHFFFAOYAO
Empirical Formula: C8H6F2O3
Molecular Weight: 188.1282
Nominal Mass: 188
Average Mass: 188.1282
Monoisotopic Mass: 188.0285
Index of Refraction: 1.533
Molar Refractivity: 41.85 cm3
Molar Volume: 134.8 cm3
Surface Tension: 40.6 dyne/cm
Density: 1.395 g/cm3
Flash Point: 123.5 °C
Enthalpy of Vaporization: 54.02 kJ/mol
Boiling Point: 280.6 °C at 760 mmHg
Vapour Pressure: 0.0022 mmHg at 25 °C
Product Categories of 4-Difluoromethoxy-3-hydroxybenzaldehyde (CAS NO.151103-08-1): Aldehydes; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het
4-Difluoromethoxy-3-hydroxybenzaldehyde Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Hazard Note of 4-Difluoromethoxy-3-hydroxybenzaldehyde (CAS NO.151103-08-1): Irritant
4-Difluoromethoxy-3-hydroxybenzaldehyde Specification
4-Difluoromethoxy-3-hydroxybenzaldehyde (CAS NO.151103-08-1), its Synonyms are Benzaldehyde, 4-(difluoromethoxy)-3-hydroxy- ; 4-(Difluoromethoxy)-3-hydroxybenzaldehyde 97% ; 4-Difluoromethoxy-3-hydroxy-benzald; ehyde ; 4-(Difluoromethoxy)-3-hydroxybenzaldehyde .
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