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Cas Database |
| Name |
Benzaldehyde,3,5-dichloro-4-hydroxy- |
EINECS | N/A |
| CAS No. | 2314-36-5 | Density | 1.547 g/cm3 |
| PSA | 37.30000 | LogP | 2.51150 |
| Solubility | N/A | Melting Point |
154 °C |
| Formula | C7H4Cl2O2 | Boiling Point | 256.7 °C at 760 mmHg |
| Molecular Weight | 191.014 | Flash Point | 109 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 36 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
AKOS B029235; |
Article Data | 45 |
Benzaldehyde,3,5-dichloro-4-hydroxy- Synthetic route
| Conditions | Yield |
|---|---|
| With N-chloro-N-(benzenesulfonyl)benzenesulfonamide In acetonitrile at 20 - 25℃; for 0.666667h; Green chemistry; | 97.4% |
| Stage #1: 4-hydroxy-benzaldehyde With 3-aminopropyltriethoxysilane In acetonitrile for 0.166667h; Stage #2: With N-chloro-succinimide In acetonitrile at 20℃; | 75% |
| With sulfuryl dichloride In chloroform Inert atmosphere; Reflux; | 55% |
| With chloroform; chlorine unter Kuehlung; | |
| With chlorine; acetic acid unter Erwaermen; |
- 22002-17-1
3,5-dichloro-4-hydroxybenzyl alcohol
- 2314-36-5
3,5-dichloro-4-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,4-dioxane for 16h; Ambient temperature; | 92% |
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,4-dioxane at 20℃; | 22% |
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,4-dioxane at 20℃; | 22% |
| Conditions | Yield |
|---|---|
| With oxygen; cobalt(II) diacetate tetrahydrate; sodium hydroxide In ethylene glycol at 80℃; under 760.051 Torr; for 8h; | 91% |
| With oxygen; cobalt(II) diacetate tetrahydrate; sodium hydroxide In ethylene glycol at 80℃; under 760.051 Torr; for 9h; | 91% |
| With copper diacetate; ethylene glycol at 100℃; for 12h; Green chemistry; chemoselective reaction; | 18% |
- 910635-08-4
[2-(2,6-dichloro-4-iodo-phenoxymethoxy)-ethyl]-trimethylsilane
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 2314-36-5
3,5-dichloro-4-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: [2-(2,6-dichloro-4-iodo-phenoxymethoxy)-ethyl]-trimethylsilane With isopropylmagnesium chloride In tetrahydrofuran at -20 - -10℃; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -10 - 20℃; Stage #3: With hydrogenchloride; water In tetrahydrofuran at 20℃; | 88% |
| Conditions | Yield |
|---|---|
| Stage #1: 2,6-Dichlorophenol; hexamethylenetetramine With acetic acid for 3h; Duff Reaction; Reflux; Stage #2: With sulfuric acid; water at 100℃; | 84% |
- 2432-12-4
2,6-dichloro-4-methylophenol
- 124-41-4
sodium methylate
A
- 2314-36-5
3,5-dichloro-4-hydroxybenzaldehyde
B
- 79817-03-1
3,5-dichloro-4-hydroxybenzyl methyl ether
| Conditions | Yield |
|---|---|
| In methanol Product distribution; Mechanism; electrolysis at 0.13 mA/cm2, 1.4 F/mol, C.C.E. 906 --> 1111 mV vs SCE; electrolyte LiClO4; acidic conditions; | A 5% B 8% C 61% D 13% |
- 79-46-9
2-nitropropane
- 22002-17-1
3,5-dichloro-4-hydroxybenzyl alcohol
A
- 2314-36-5
3,5-dichloro-4-hydroxybenzaldehyde
B
- 85628-45-1
2,6-Dichlor-4-(2-methyl-2-nitropropyl)phenol
| Conditions | Yield |
|---|---|
| potassium fluoride; tetrabutyl-ammonium chloride for 30h; Heating; | A 15% B 26% |
- 79-46-9
2-nitropropane
- 56733-60-9
2,6-dichloro-4-dimethylaminomethyl-phenol
A
- 87-65-0
2,6-Dichlorophenol
B
- 2314-36-5
3,5-dichloro-4-hydroxybenzaldehyde
C
- 85628-45-1
2,6-Dichlor-4-(2-methyl-2-nitropropyl)phenol
| Conditions | Yield |
|---|---|
| potassium fluoride; tetrabutyl-ammonium chloride for 30h; Heating; | A n/a B n/a C 12% |
| Conditions | Yield |
|---|---|
| With calcium hydroxide; sodium carbonate In water for 2h; Heating; | 8% |
| With sodium hydroxide |
- 2314-36-5
3,5-dichloro-4-hydroxybenzaldehyde
| Conditions | Yield |
|---|---|
| With hydrogen iodide |
Benzaldehyde,3,5-dichloro-4-hydroxy- Specification
The Benzaldehyde,3,5-dichloro-4-hydroxy-, with the CAS registry number of 2314-36-5, is also known as AKOS B029235. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C7H4Cl2O2 and molecular weight is 191.01. What's more, its IUPAC name is 3,5-Dichloro-4-hydroxybenzaldehyde.
Physical properties about the Benzaldehyde,3,5-dichloro-4-hydroxy- are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 9.43; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 106.88; (8)ACD/KOC (pH 7.4): 2.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 44.67 cm3; (15)Molar Volume: 123.4 cm3; (16)Surface Tension: 56.9 dyne/cm; (17)Density: 1.547 g/cm3; (18)Flash Point: 109 °C; (19)Enthalpy of Vaporization: 51.41 kJ/mol; (20)Boiling Point: 256.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00945 mmHg at 25 °C.
Preparation: this chemical is prepared by 3,5-Dichloro-4-hydroxy-benzyl alcohol. The reaction needs reagent 2,3-Dichloro-5,6-dicyanobenzoquinone and solvent Dioxane. The reaction time is 16 h. The yield is about 92 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 1-(3,5-Dichloro-4-hydroxyphenyl)-2-phenylethanol. The yield is about 79 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(cc(Cl)c1O)C=O
(2) InChI: InChI=1/C7H4Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
(3) InChIKey: LIYGCLJYTHRBQV-UHFFFAOYAZ
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