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CAS No.: | 2314-36-5 |
---|---|
Name: | 3,5-DICHLORO-4-HYDROXYBENZALDEHYDE |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C7H4Cl2O2 |
Molecular Weight: | 191.014 |
Synonyms: | AKOS B029235; |
Density: | 1.547 g/cm3 |
Melting Point: | 154 °C |
Boiling Point: | 256.7 °C at 760 mmHg |
Flash Point: | 109 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 37.30000 |
LogP: | 2.51150 |
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; |
3,5-dichloro-4-hydroxybenzyl alcohol
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% |
[2-(2,6-dichloro-4-iodo-phenoxymethoxy)-ethyl]-trimethylsilane
N,N-dimethyl-formamide
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% |
2,6-dichloro-4-methylophenol
sodium methylate
A
3,5-dichloro-4-hydroxybenzaldehyde
B
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% |
2-nitropropane
3,5-dichloro-4-hydroxybenzyl alcohol
A
3,5-dichloro-4-hydroxybenzaldehyde
B
2,6-Dichlor-4-(2-methyl-2-nitropropyl)phenol
Conditions | Yield |
---|---|
potassium fluoride; tetrabutyl-ammonium chloride for 30h; Heating; | A 15% B 26% |
2-nitropropane
2,6-dichloro-4-dimethylaminomethyl-phenol
A
2,6-Dichlorophenol
B
3,5-dichloro-4-hydroxybenzaldehyde
C
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 |
3,5-dichloro-4-hydroxybenzaldehyde
Conditions | Yield |
---|---|
With hydrogen iodide |
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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 %.
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 %.
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