tert-butyl (2,6-dichlorophenoxy)dimethylsilane
2,6-Dichlorophenol
Conditions | Yield |
---|---|
With lithium acetate In water; N,N-dimethyl-formamide at 70℃; for 3h; Inert atmosphere; | 94% |
Conditions | Yield |
---|---|
With 2,2,6,6-tetramethyl-piperidine; sulfuryl dichloride In toluene at 25℃; for 24h; Inert atmosphere; regioselective reaction; | 91% |
With 1,3-dichloro-5,5-dimethylhydantoin; diisopropylamine hydrochloride In toluene at 0℃; for 4h; Darkness; regioselective reaction; | 78% |
With tetrachloromethane; tert-butylhypochlorite |
Conditions | Yield |
---|---|
With copper(I) oxide In quinoline at 220℃; for 6h; Autoclave; | 86% |
With quinoline at 190℃; | |
With methyllithium; calcium carbonate |
Conditions | Yield |
---|---|
With selenium(IV) oxide; dihydrogen peroxide In tetrahydrofuran for 52h; Heating; | A 4 % Chromat. B 86% |
Conditions | Yield |
---|---|
With iron(III) chloride; diphenyl sulfide; boric acid at 40 - 80℃; | A 13.31% B 85.43% |
With chloroamine In water pH=9.0; Product distribution; Further Variations:; Reagents; pH-values; | A 23% B 77% |
With N-chlorobis(2-chloroethyl)amine; silica gel In tetrachloromethane at 25℃; Yield given. Yields of byproduct given; | |
With 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one In tetrachloromethane; N,N-dimethyl-formamide at 20℃; for 360h; other reagent; Yield given. Yields of byproduct given; | |
With aluminum (III) chloride; sulfuryl dichloride In neat (no solvent) at 25 - 55℃; for 3h; Reagent/catalyst; Temperature; regioselective reaction; | A 5.7 %Chromat. B 92.1 %Chromat. |
Conditions | Yield |
---|---|
With triethylamine In toluene at 80℃; for 2.5h; Reagent/catalyst; Solvent; Time; | 84.4% |
With triethylamine In N,N-dimethyl-formamide at 100℃; for 4h; Dehydrochlorination; | 30% |
Conditions | Yield |
---|---|
With 12-TPA/SBA 15 In 1,4-dioxane at 110℃; | 75% |
2,6-dichlorophenylboronic acid
2,6-Dichlorophenol
Conditions | Yield |
---|---|
With ozone In ethanol; water at 20 - 30℃; for 0.583333h; | 73% |
2,6-Dichlorophenol
Conditions | Yield |
---|---|
With 12-TPA/SBA 15 In 1,4-dioxane at 110℃; | 70% |
phenol
A
2,6-Dichlorophenol
B
4-chloro-phenol
C
2,4-dichlorophenol
Conditions | Yield |
---|---|
With hydrogenchloride; sodium chlorate In water; acetic acid at 20℃; for 72h; | A 4% B 16% C 65% |
phenol
A
2,6-Dichlorophenol
B
2-monochlorophenol
C
4-chloro-phenol
D
2,4-dichlorophenol
E
2,4,6-Trichlorophenol
Conditions | Yield |
---|---|
With aluminium trichloride; diphenyl sulfide; chlorine In neat (no solvent) at 35℃; for 1.5h; Product distribution; others 2-alkylphenols; var. chlorinating agent, temp., and time; | A 0.5% B 18.4% C 58.6% D 7.7% E 0.5% |
With N,N'-dichloropiperazine; silica gel In tetrachloromethane at 25℃; Product distribution; further reagents; | |
With tert-butylhypochlorite; tris(3-pyridiniumprop-1-yl)benzene-1,3,5-tricarboxylatetrichloride In acetonitrile Product distribution; Mechanism; other tentacle reagents and variations of concentration; | |
With tert-butylhypochlorite; cetylpyridinium chloride In water Product distribution; other reagents and solvent; | |
With sulfuryl dichloride; 2-aminopyridine In toluene at 70℃; for 1h; Product distribution; chlorination catalyzed by var. amines under var. conditions; | A n/a B 32.3 % Chromat. C 60.3 % Chromat. D n/a E n/a |
phenol
A
2,6-Dichlorophenol
B
2-monochlorophenol
C
4-chloro-phenol
D
2,4-dichlorophenol
Conditions | Yield |
---|---|
With chloroamine In water pH=9.0; Product distribution; Further Variations:; Reagents; pH-values; | A 9.6% B 50.5% C 23% D 16.3% |
With oxygen; silica gel; copper dichloride at 200℃; Formation of xenobiotics; | A 0.004% B 4.761% C 1.149% D 0.393% |
With oxygen; silica gel; copper dichloride at 225℃; Formation of xenobiotics; Further byproducts.; | A 0.008% B 3.892% C 0.998% D 0.394% |
2,6-dichlorophenyl dimethylcarbamate
2,6-Dichlorophenol
Conditions | Yield |
---|---|
With hydrazine hydrate at 60℃; for 2h; Sealed tube; regioselective reaction; | 50% |
Conditions | Yield |
---|---|
With hydrogenchloride; potassium permanganate In acetonitrile at 60℃; | A 44% B 44% |
With alkaline sodium hypochlorite solution | |
With chlorine |
Conditions | Yield |
---|---|
With sodium methylate In N,N,N,N,N,N-hexamethylphosphoric triamide at 120℃; | 33% |
1,2,3-trichlorobenzene
A
2,6-Dichlorophenol
B
2,3-dichloroanisole
C
2,6-dichloroanisole
Conditions | Yield |
---|---|
With potassium hydroxide; Tris(3,6-dioxaheptyl)amine at 135℃; for 2h; | A 23% B 756 g C 496 g |
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% |
2-monochlorophenol
A
dioxin
B
2,6-Dichlorophenol
C
1-chlorodibenzo-p-dioxin
Conditions | Yield |
---|---|
With oxygen at 600℃; for 0.000555556h; Product distribution; Further Variations:; Temperatures; | A 1.32% B 0.59% C 0.92% D 9.43% |
2-monochlorophenol
A
dioxin
B
2,6-Dichlorophenol
C
1-chlorodibenzo-p-dioxin
D
2,4-dichlorophenol
Conditions | Yield |
---|---|
With oxygen; silica gel; copper dichloride at 400℃; Product distribution; Further Variations:; Temperatures; | A 0.6915% B 0.219% C 0.7511% D 0.238% |
With oxygen; silica gel; copper dichloride at 350℃; Formation of xenobiotics; Further byproducts.; | A 0.0672% B 0.229% C 0.3293% D 0.282% |
2-monochlorophenol
A
2,6-Dichlorophenol
B
2,4-dichlorophenol
C
2,4,6-Trichlorophenol
Conditions | Yield |
---|---|
With oxygen; silica gel; copper dichloride at 300℃; Formation of xenobiotics; | A 0.282% B 0.379% C 0.128% |
With N-chloro-succinimide at 80℃; for 10h; regioselective reaction; | A 8 %Chromat. B 55 %Chromat. C 18 %Chromat. |
2-monochlorophenol
A
2,6-Dichlorophenol
B
1-chlorodibenzo-p-dioxin
C
2,4-dichlorophenol
D
2,4,6-Trichlorophenol
Conditions | Yield |
---|---|
With oxygen; silica gel; copper dichloride at 325℃; Formation of xenobiotics; | A 0.257% B 0.0024% C 0.312% D 0.053% |
Conditions | Yield |
---|---|
at 190 - 200℃; | |
at 190℃; |
Conditions | Yield |
---|---|
With palladium on activated charcoal; sodium acetate; benzene Hydrogenation.Reagens 4: Cyclohexan; | |
With sodium sulfite In water at 130℃; Sealed tube; Microwave irradiation; Green chemistry; | 63 mg |
4-tert-butyl-2,6-dichloro-phenol
2,6-Dichlorophenol
Conditions | Yield |
---|---|
With aluminium trichloride; xylene |
Conditions | Yield |
---|---|
With sulfuric acid Diazotization.Kochen des Diazoniumsulfats mit Wasser und Soda; |
2,6-dichloro-4-tert-pentyl-phenol
2,6-Dichlorophenol
Conditions | Yield |
---|---|
With aluminium trichloride; xylene at 65 - 95℃; | |
With boron trifluoride; xylene at 60℃; |
3,5-dichloro-4-hydroxybenzoic acid
N,N-dimethyl-aniline
2,6-Dichlorophenol
Conditions | Yield |
---|---|
at 190℃; |
methanol
sodium methylate
1,2,3-trichlorobenzene
A
2,6-Dichlorophenol
B
2,3-dichloroanisole
C
2,3-dichlorophenol
Conditions | Yield |
---|---|
at 180℃; im Rohr; |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide for 2h; Heating; | 100% |
2,6-Dichlorophenol
trifluoromethylsulfonic anhydride
2,6-dichlorophenyl trifluoromethanesulphonate
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; | 100% |
Conditions | Yield |
---|---|
With palladium diacetate; dicyclohexylphenylphosphine In water; 1,2-dichloro-ethane at 40 - 70℃; for 3h; Reagent/catalyst; Solvent; Temperature; Concentration; Suzuki Coupling; Inert atmosphere; Sealed tube; | 99.3% |
With C28H44N2PPd; potassium carbonate In ethanol; water at 60℃; for 6h; Suzuki coupling; | 96% |
With reduced graphene oxide/Pd-Fe3O4(at)polypyrrole nanocomposite In water at 70℃; for 3h; Suzuki Coupling; Sonication; | 65% |
2,6-Dichlorophenol
4-(4-nitrophenyl)-1-piperazinecarbonyl chloride
C17H15Cl2N3O4
Conditions | Yield |
---|---|
Stage #1: 2,6-Dichlorophenol With sodium hydride In tetrahydrofuran for 0.25h; Molecular sieve; Stage #2: 4-(4-nitrophenyl)-1-piperazinecarbonyl chloride In tetrahydrofuran at 20℃; for 18.5h; Heating / reflux; | 99% |
Stage #1: 2,6-Dichlorophenol With sodium hydride In tetrahydrofuran for 0.25h; Stage #2: 4-(4-nitrophenyl)-1-piperazinecarbonyl chloride In tetrahydrofuran at 20℃; for 19h; Heating / reflux; | 99% |
Conditions | Yield |
---|---|
In [D3]acetonitrile at 20℃; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With Zn(NO3)2*2N2O4 In dichloromethane at 20℃; for 0.0833333h; | 98% |
With tetra(n-butyl)ammonium dichromate(VI); sodium nitrite In dichloromethane for 23h; Reflux; chemoselective reaction; | 98% |
With Tetraethylene glycol; silica gel; dinitrogen tetraoxide In dichloromethane at 20℃; for 0.0833333h; | 97% |
2,6-Dichlorophenol
A
2,6-Dichlorophenyl sulfate
Conditions | Yield |
---|---|
With sulfur trioxide In nitromethane-d3 at -30℃; for 0.0333333h; Product distribution; various solvents, times, temperatures, amounts of SO3; | A 98% B 2% |
Conditions | Yield |
---|---|
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine In acetonitrile at 0 - 5℃; for 1h; | 98% |
2,6-Dichlorophenol
3-chloro-1-(4-fluorophenyl)-1-propanol
1-(4-fluorophenyl)-1-(2,6-dichlorophenoxy)-3-chloropropane
Conditions | Yield |
---|---|
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 20℃; Inert atmosphere; | 98% |
2,6-Dichlorophenol
3-chloro-1-(p-tolyl)propan-1-ol
1-(4-methylphenyl)-1-(2,6-dichlorophenoxy)-3-chloropropane
Conditions | Yield |
---|---|
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 20℃; Inert atmosphere; | 98% |
2,6-Dichlorophenol
tert-butyldimethylsilyl chloride
tert-butyl (2,6-dichlorophenoxy)dimethylsilane
Conditions | Yield |
---|---|
With 1H-imidazole In N,N-dimethyl-formamide at 0 - 20℃; | 98% |
With 1H-imidazole In N,N-dimethyl-formamide at 0 - 20℃; | 98% |
2,6-Dichlorophenol
2,6-dichloro-4-iodophenol
Conditions | Yield |
---|---|
Stage #1: 2,6-Dichlorophenol With ethylenediamine; sodium iodide In ethanol; water for 0.25h; Stage #2: With iodine In ethanol; water at 20℃; | 97% |
With dihydrogen peroxide; iodine In water for 0.75h; Sonication; | 97% |
With dihydrogen peroxide; iodine In water at 50℃; for 24h; regioselective reaction; | 95% |
Conditions | Yield |
---|---|
With bromine In acetonitrile at 0℃; for 6h; | 97% |
With bromine In acetonitrile at 0℃; for 2h; | 95.5% |
With bromine In acetonitrile at 0℃; for 2h; | 94% |
Conditions | Yield |
---|---|
With N,N'-dimethylimidazolium-2-carboxylate In acetonitrile at 160℃; for 2h; Microwave irradiation; Green chemistry; | 97% |
Conditions | Yield |
---|---|
Stage #1: (2-benzoylamino-phenyl)-acetic acid methyl ester With thionyl chloride for 3h; Reflux; Stage #2: 2,6-Dichlorophenol With potassium carbonate In toluene for 3h; Reagent/catalyst; Cooling with ice; Reflux; | 97% |
2,6-Dichlorophenol
(R)-2-(4-hydroxybutan-2-yl)isoindoline-1,3-dione
(R)-2-(4-(2,6-dichlorophenoxy)butan-2-yl)isoindoline-1,3-dione
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; | 96% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 17h; | 96% |
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane In neat (no solvent) at 70 - 140℃; for 0.183333h; Microwave irradiation; | 96% |
Conditions | Yield |
---|---|
With tris(2,2'-bipyridyl)ruthenium dichloride In acetonitrile at 20℃; for 3h; Irradiation; | 96% |
Conditions | Yield |
---|---|
aluminium dodecatungsten phosphate at 20℃; for 0.25h; | 95% |
With o-benzenedisulfonimide at 20℃; for 4h; | 95% |
With pentaaminechlorocobalt(III) dichloride; phosphoric acid In neat (no solvent) at 75℃; for 0.166667h; Reagent/catalyst; Green chemistry; chemoselective reaction; | 90% |
In 1,4-dioxane; water at 25℃; Rate constant; Anion, pH 7.50; | |
With pyridine |
2,6-Dichlorophenol
[2-(2,6-dichloroanilino)phenyl]acetic acid
Conditions | Yield |
---|---|
With potassium hydroxide In dimethyl sulfoxide at 60 - 100℃; for 8h; Temperature; Reagent/catalyst; | 95% |
Conditions | Yield |
---|---|
With sodium hydroxide In neat (no solvent) at 90℃; for 5h; Green chemistry; | 95% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 2.5h; | 94.1% |
With triethylamine In dichloromethane at 0 - 20℃; for 2.5h; Inert atmosphere; | 94% |
With triethylamine In dichloromethane at 20℃; for 2.5h; | 94% |
Conditions | Yield |
---|---|
Stage #1: 2,6-Dichlorophenol With potassium carbonate In dimethyl sulfoxide at 20℃; Inert atmosphere; Stage #2: allyl bromide In dimethyl sulfoxide at 20℃; for 2h; Inert atmosphere; regioselective reaction; | 94% |
With potassium carbonate; butanone | |
With potassium carbonate |
2,6-Dichlorophenol
methyl 3,3,3-trifluoropyruvate
Conditions | Yield |
---|---|
With triethylamine In benzene for 6h; Ambient temperature; | 94% |
2,6-Dichlorophenol
2-chloro-N-(2-(3,4-dimethoxyphenyl)ethyl)acetamide
2-(2,6-dichloro-phenoxy)-N-[2-(3,4-dimethoxy-phenyl)-ethyl]-acetamide
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile for 6h; Heating; | 94% |
2,6-Dichlorophenol
2-(3-bromopropyl)isoindole-1,3-dione
2-(3-(2,6-dichlorophenoxy)propyl)isoindoline-1,3-dione
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide; caesium carbonate In tetrahydrofuran at 20 - 50℃; for 16h; | 94% |
With tetra-(n-butyl)ammonium iodide; caesium carbonate In tetrahydrofuran at 20 - 50℃; for 16h; | 94% |
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 4h; | |
With potassium carbonate In N,N-dimethyl-formamide at 100℃; |
2,6-Dichlorophenol
4,5-dichloro-2-chloromethyl-pyridazin-3(2H)-one
4-chloro-5-(2,6-dichlorophenoxy)-2-[(2,6-dichlorophenoxy)-methyl]pyridazin-3(2H)-one
Conditions | Yield |
---|---|
With potassium carbonate In methanol for 5h; Reflux; | 94% |
2,6-Dichlorophenol
pentaphenylantimony
2,6-dichlorophenoxytetraphenylstiborane
Conditions | Yield |
---|---|
In toluene room temperature; | 93% |
Conditions | Yield |
---|---|
With N,N-dimethyl-aniline In toluene Inert atmosphere; | 93% |
Following is the structure of 2,6-Dichlorophenol (CAS NO.87-65-0):
IUPAC Name: 2,6-Dichlorophenol
Molecular Formula: C6H4Cl2O
Molecular Weight: 163.001360 g/mol
EINECS: 201-761-3
Index of Refraction: 1.593
Molar Refractivity: 37.92 cm3
Molar Volume: 111.7 cm3
Density: 1.458 g/cm3
Flash Point: 94.9 °C
Melting Point: 65 °C
Storage temp.: 0-6 °C
Polarizability: 15.03 10-24cm3
Surface Tension: 47.8 dyne/cm
Enthalpy of Vaporization: 47.39 kJ/mol
Boiling Point: 219 °C at 760 mmHg
Vapour Pressure: 0.0828 mmHg at 25 °C
Water Solubility: <0.1 g/100 mL at 20 °C
Appearance of 2,6-Dichlorophenol (CAS NO.87-65-0): white or light purple crystals
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides.
Product Categories: Aromatic Phenols; Phenoles and thiophenoles; Alpha sort; D; DAlphabetic; DIA - DIC; Pesticides & Metabolites; Volatiles/ Semivolatiles; Organic Building Blocks; Oxygen Compounds; Phenols
Canonical SMILES: C1=CC(=C(C(=C1)Cl)O)Cl
InChI: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey: HOLHYSJJBXSLMV-UHFFFAOYSA-N
2,6-Dichlorophenol (CAS NO.87-65-0) is used as intermediates of medicine, pesticide, dyes and organic synthesis.
2,6-Dichlorophenol (CAS NO.87-65-0) can be synthesized by 4-ethylparaben obtained.
1. | skn-rbt 500 mg/24H SEV | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,79. | ||
2. | eye-rbt 250 µg/24H SEV | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,79. | ||
3. | ipr-rat LD50:390 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 13 (1958),20. | ||
4. | orl-mus LD50:2120 mg/kg | TOLED5 Toxicology Letters. 29 (1985),39. |
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program. Chlorophenol compounds are on the Community Right-To-Know List.
Hazard Codes:C ,Xi ,T ,F
Risk Statements:34-36/38-39/23/24/25-23/24/25-11
34:Causes burns
36/38:Irritating to eyes and skin
39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed
23/24/25:Toxic by inhalation, in contact with skin and if swallowed
11:Highly Flammable
Safety Statements:26-27-36/37/39-37/39-45-36/37-16
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27:Take off immediately all contaminated clothing
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
37/39:Wear suitable gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37:Wear suitable protective clothing and gloves
16:Keep away from sources of ignition - No smoking
RIDADR:UN 2020 6.1/PG 3
WGK Germany:2
RTECS:SK8750000
Hazard Note:Harmful/Corrosive
HazardClass:6.1
PackingGroup:III
Poison by intraperitoneal route. Moderately toxic by ingestion. A severe skin and eye irritant. When heated to decomposition it emits toxic fumes of Cl−. See also CHLOROPHENOLS.
2,6-Dichlorophenol , its cas register number 87-65-0. It also can be called 2,6-Dichlorfenol [Czech] ; 2,6-Dichlorophenol ; BRN 1447806 ; CCRIS 2511 ; HSDB 4240 ; NSC 60647 ; and Phenol, 2,6-dichloro- . Its classification code are Skin / Eye Irritant and TSCA Flag T [Subject to the Section 4 test rule under TSCA].
2,6-Dichlorophenol (CAS NO.87-65-0) is stable. It should avoid the condition like incompatible materials. It is not compatible with incompatible materials, acid chlorides, acid anhydrides. And also prevent it to broken down into hazardous decomposition products: hydrogen chloride, carbon monoxide, carbon dioxide. However, its hazardous polymerization will not occur.
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