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Cas Database |
| Name |
2,6-Dichlorophenol |
EINECS | 201-761-3 |
| CAS No. | 87-65-0 | Density | 1.458 g/cm3 |
| PSA | 20.23000 | LogP | 2.69900 |
| Solubility | <0.1 g/100 mL at 20 °C in water | Melting Point |
65 °C |
| Formula | C6H4Cl2O | Boiling Point | 219 °C at 760 mmHg |
| Molecular Weight | 163.003 | Flash Point | 94.9 °C |
| Transport Information | UN 2020 6.1/PG 3 | Appearance | white or light purple crystals |
| Safety | 26-27-36/37/39-37/39-45-36/37-16 | Risk Codes | 34-36/38-39/23/24/25-23/24/25-11 |
| Molecular Structure |
|
Hazard Symbols |
 C,  Xi,  T,  F
|
| Synonyms |
Phenol,2,6-dichloro-;NSC 60647; |
Article Data | 94 |
2,6-Dichlorophenol Synthetic route
- 188645-80-9
tert-butyl (2,6-dichlorophenoxy)dimethylsilane
- 87-65-0
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% |
- 73852-17-2
2,6-dichlorophenylboronic acid
- 87-65-0
2,6-Dichlorophenol
| Conditions | Yield |
|---|---|
| With ozone In ethanol; water at 20 - 30℃; for 0.583333h; | 73% |
- 87-65-0
2,6-Dichlorophenol
| Conditions | Yield |
|---|---|
| With 12-TPA/SBA 15 In 1,4-dioxane at 110℃; | 70% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium chlorate In water; acetic acid at 20℃; for 72h; | A 4% B 16% C 65% |
2,6-Dichlorophenol Chemical Properties
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 Uses
2,6-Dichlorophenol (CAS NO.87-65-0) is used as intermediates of medicine, pesticide, dyes and organic synthesis.
2,6-Dichlorophenol Production
2,6-Dichlorophenol (CAS NO.87-65-0) can be synthesized by 4-ethylparaben obtained.
2,6-Dichlorophenol Toxicity Data With Reference
| 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. |
2,6-Dichlorophenol Consensus Reports
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program. Chlorophenol compounds are on the Community Right-To-Know List.
2,6-Dichlorophenol Safety Profile
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 Specification
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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