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| CAS No.: | 576-24-9 |
|---|---|
| Name: | 2,3-Dichlorophenol |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H4Cl2O |
| Molecular Weight: | 163.003 |
| Synonyms: | NSC 60646; |
| EINECS: | 209-399-8 |
| Density: | 1.458 g/cm3 |
| Melting Point: | 56 °C |
| Boiling Point: | 206 °C at 760 mmHg |
| Flash Point: | 101.6 °C |
| Solubility: | <0.1 g/100 mL at 20℃ |
| Appearance: | Brown crystals (from ligroin, benzene). |
| Hazard Symbols: |
 Xn;  Xi;  N;  C
|
| Risk Codes: | 22-36/38-51/53-34 |
| Safety: | 26-28-61-45-36/37/39 |
| Transport Information: | UN 2020 6.1/PG 3 |
| PSA: | 20.23000 |
| LogP: | 2.69900 |
- 81281-59-67-Benzylideneaminotheophylline
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- 852475-26-4MC1568
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With wild-type cytochrome P450cam In ethanol at 30℃; for 0.0333333h; pH=7.4; Enzyme kinetics; Further Variations:; Reagents; Oxidation; | A 10% B 90% |
| With oxygen; titanium(IV) oxide In perchloric acid at 23℃; for 0.25h; pH=1; Kinetics; Further Variations:; Catalysts; reaction time; UV-irradiation; | |
| With (difluoroboryl)dimethylglyoximatocobalt(II) bis(acetonitrile); water; 3-cyano-1-methylquinolinium perchlorate In acetonitrile at 20℃; for 5h; Inert atmosphere; Irradiation; | |
| Stage #1: 1,2-dichloro-benzene With formic acid; CoO40W12(5-)*16H2O*5K(1+); lithium formate at 25℃; for 3h; Electrochemical reaction; Stage #2: With perchloric acid In diethyl ether; water at 20℃; for 0.166667h; Reagent/catalyst; |
- 151169-74-3
2,3-dichlorobenzeneboronic acid
- 576-24-9
2,3-dichlorophenol
| Conditions | Yield |
|---|---|
| With 10-methylacridine-3(10H)-one; oxygen; N-ethyl-N,N-diisopropylamine In water at 20℃; for 42h; Irradiation; Green chemistry; | 88% |
| Conditions | Yield |
|---|---|
| With sodium methylate In N,N,N,N,N,N-hexamethylphosphoric triamide at 120℃; | 50% |
- 108-43-0
3-monochlorophenol
A
- 583-78-8
2,5-dichlorophenol
B
- 95-77-2
3,4-dichlorophenol
C
- 576-24-9
2,3-dichlorophenol
| Conditions | Yield |
|---|---|
| With oxygen; silica gel; copper dichloride at 350℃; Formation of xenobiotics; Further byproducts.; | A 0.227% B 0.027% C 0.051% D 0.115% |
| With oxygen; silica gel; copper dichloride at 375℃; Formation of xenobiotics; Further byproducts.; | A 0.139% B 0.019% C 0.032% D 0.2629% |
- 108-43-0
3-monochlorophenol
A
- 583-78-8
2,5-dichlorophenol
B
- 95-77-2
3,4-dichlorophenol
C
- 576-24-9
2,3-dichlorophenol
D
- 95-95-4
2,4,5-trichlorophenol
| Conditions | Yield |
|---|---|
| With oxygen; silica gel; copper dichloride at 300℃; Product distribution; Further Variations:; Temperatures; | A 0.262% B 0.044% C 0.061% D 0.021% |
- 56962-00-6
2-amino-3-chlorophenol
- 576-24-9
2,3-dichlorophenol
| Conditions | Yield |
|---|---|
| With hydrogenchloride Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl2 und konz. wss. HCl; |
- 56962-01-7
2-chloro-3-aminophenol
- 576-24-9
2,3-dichlorophenol
| Conditions | Yield |
|---|---|
| With hydrogenchloride Diazotization.Behandlung der Diazoniumsalz-Loesung mit Kupfer-Pulver und wss. HCl; |
- 67-56-1
methanol
- 124-41-4
sodium methylate
- 87-61-6
1,2,3-trichlorobenzene
A
- 87-65-0
2,6-Dichlorophenol
B
- 1984-59-4
2,3-dichloroanisole
C
- 576-24-9
2,3-dichlorophenol
| Conditions | Yield |
|---|---|
| at 180℃; im Rohr; |
| Conditions | Yield |
|---|---|
| With methanol; sodium methylate at 180℃; |
| Conditions | Yield |
|---|---|
| With N-chloro-3-methyl-2,6-diphenylpiperidin-4-one; hydrogen cation In ethanol; water at 30℃; Product distribution; Thermodynamic data; ΔH(excit.), ΔS(excit.); | |
| With N-chloro-3-methyl-2,6-diphenylpiperidin-4-one; hydrogen cation In ethanol; water at 30℃; |
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Consensus Reports
Specification
The IUPAC name of this chemical is 2,3-Dichlorophenol. With the CAS registry number 576-24-9 and EINECS registry number 209-399-8, it is also named as Phenol,2,3-dichloro-. In addition, the molecular formula is C6H4Cl2O and the molecular weight is 163.001. It is a kind of light brown crystalline solid and belongs to the classes of Aromatic Phenols; Phenol Thiophenol Mercaptan; Chlorine Compounds; Phenols; Alphabetic; D; DIA - DIC; Organic Building Blocks; Oxygen Compounds. What's more, it is stable and incompatible with strong oxidizing agents, acid chlorides and acid anhydrides.
Physical properties about this chemical are: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 82.59; (6)ACD/BCF (pH 7.4): 47.9; (7)ACD/KOC (pH 5.5): 817.7; (8)ACD/KOC (pH 7.4): 474.31; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 37.92 cm3; (15)Molar Volume: 111.7 cm3; (16)Polarizability: 15.03 ×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.458 g/cm3; (19)Flash Point: 101.6 °C; (20)Enthalpy of Vaporization: 46.03 kJ/mol; (21)Boiling Point: 206 °C at 760 mmHg; (22)Vapour Pressure: 0.169 mmHg at 25°C.
Preparation of 2,3-Dichlorophenol: it can be prepared by 1,2,3-trichlorobenzene. The 1,2,3-trichlorobenzene will become into salt by sulphonate. Then by means of high pressure hydrolysis, you can get 3,4-dichlorine-2-hydroxybenzenesulfonic acid. The sulfonateyl will be took off through sulfuric acid hydrolysis at last. In addition, it can be prepared by 2,3-dichloro-anisole. This reaction will need reagent sodium methoxide and solvent hexamethylphosphoric acid triamide. The yield is about 50% at reaction temperature of 50 °C.
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Uses of 2,3-Dichlorophenol: it can be usd as intermediates to synthetize uric acid. In addition, it can react with thiophene-2-carbonyl chloride to get Thiophen-2-carbonsaeure-(2,3-dichlor)-phenylester. This reaction will need reagent pyridine and solvent tetrahydrofuran. The reaction time is one hour by heating. The yield is about 90%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed, irritating to eyes and skin. And it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In addition, it may cause burns. It is refer to special instructions/safety data sheets. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If contact it with skin, wash immediately with plenty of soap-suds. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). At last, avoid release to the environment.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(O)cccc1Cl
(2)InChI: InChI=1/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
(3)InChIKey: UMPSXRYVXUPCOS-UHFFFAOYAZ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 2376mg/kg (2376mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Toxicology Letters. Vol. 29, Pg. 39, 1985. |