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Cas Database |
| Name |
2,6-Dihydroxybenzaldehyde |
EINECS | N/A |
| CAS No. | 387-46-2 | Density | 1.41 g/cm3 |
| PSA | 57.53000 | LogP | 0.91030 |
| Solubility | N/A | Melting Point |
154-155 ºC |
| Formula | C7H6O3 | Boiling Point | 223.343 °C at 760 mmHg |
| Molecular Weight | 138.123 | Flash Point | 103.154 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
g-Resorcylaldehyde (7CI,8CI);2,6-Dihydroxybenzaldehyde;6-Hydroxysalicylaldehyde;Ranjal; |
Article Data | 29 |
2,6-Dihydroxybenzaldehyde Synthetic route
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In dichloromethane at 20℃; for 12h; Green chemistry; | 88% |
| Stage #1: 2,6-dimethoxybenzaldehyde With aluminum (III) chloride In dichloromethane at 20℃; Stage #2: With hydrogenchloride; water In dichloromethane | 87% |
| With aluminum (III) chloride In dichloromethane at 20℃; | 78.3% |
- 154714-19-9
5-hydroxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one
- 387-46-2
2,6-dihydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With diisobutylaluminium hydride In dichloromethane; toluene at -78℃; for 6h; Inert atmosphere; | 82% |
| With diisobutylaluminium hydride In dichloromethane at -78℃; for 2h; | 39% |
- 387-46-2
2,6-dihydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 20℃; for 16h; pH=0.7 - 0.8; | 65.6% |
- 888958-29-0
5-(tert-butyl-dimethyl-silanyloxy)-2,2-dimethyl-benzo[1,3]dioxin-4-one
A
- 387-46-2
2,6-dihydroxybenzaldehyde
B
- 154714-19-9
5-hydroxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one
| Conditions | Yield |
|---|---|
| With diisobutylaluminium hydride In dichloromethane at -78℃; for 2h; | A 35% B 62% |
| Conditions | Yield |
|---|---|
| With aluminum tri-bromide In benzene for 3h; Ambient temperature; | 58% |
| With aluminium trichloride; benzene |
- 79834-12-1
2,6-bis((2-methoxyethoxy)methoxy)benzaldehyde
- 387-46-2
2,6-dihydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol for 2h; Heating; | 47% |
| With hydrogenchloride In 1,4-dioxane; methanol at 50℃; |
- 3392-97-0
2,6-dimethoxybenzaldehyde
A
- 700-44-7
6-methoxysalicylaldehyde
B
- 387-46-2
2,6-dihydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In dichloromethane at 0 - 25℃; for 18h; Inert atmosphere; | A 31% B 44% |
- 67-66-3
chloroform
- 108-46-3
recorcinol
A
- 387-46-2
2,6-dihydroxybenzaldehyde
B
- 95-01-2
2,4-Dihydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 60℃; for 8h; | A 40% B 24% |
| Conditions | Yield |
|---|---|
| With ethanol; pyridinium p-toluenesulfonate In 1,2-dichloro-ethane at 70℃; solid phase reaction; | A 8% B 32% |
| Conditions | Yield |
|---|---|
| at 100 - 110℃; |
2,6-Dihydroxybenzaldehyde Specification
The systematic name of 2,6-Dihydroxybenzaldehyde is 2,6-Dihydroxybenzaldehyde. With the CAS registry number 387-46-2, it is also named as Benzaldehyde,2,6-dihydroxy-. The product's category is aromatic aldehydes & derivatives (substituted). In addition, its molecular formula is C7H6O3 and its molecular weight is 138.12.
The other characteristics of 2,6-Dihydroxybenzaldehyde can be summarized as: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 173; (8)ACD/KOC (pH 7.4): 112; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.53 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 36.769 cm3; (15)Molar Volume: 97.959 cm3; (16)Polarizability: 14.576×10-24cm3; (17)Surface Tension: 69.027 dyne/cm; (18)Density: 1.41 g/cm3; (19)Flash Point: 103.154 °C; (20)Melting point: 154-155 °C; (21)Enthalpy of Vaporization: 47.853 kJ/mol; (22)Boiling Point: 223.343 °C at 760 mmHg; (23)Vapour Pressure: 0.065 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=Cc1c(O)cccc1O
(2)InChI:InChI=1/C7H6O3/c8-4-5-6(9)2-1-3-7(5)10/h1-4,9-10H
(3)InChIKey:DGXAGETVRDOQFP-UHFFFAOYAV
(4)Std. InChI:InChI=1S/C7H6O3/c8-4-5-6(9)2-1-3-7(5)10/h1-4,9-10H
(5)Std. InChIKey:DGXAGETVRDOQFP-UHFFFAOYSA-N
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