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CAS No.: | 120-83-2 |
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Name: | 2,4-Dichlorophenol |
Article Data: | 169 |
Molecular Structure: | |
Formula: | C6H4Cl2O |
Molecular Weight: | 163.003 |
Synonyms: | Phenol, 2,4-dichloro-;4, 6-Dichlorophenol;1-Hydroxy-2,4-dichlorobenzene;NCI-C55345;2,4-Dichloro Phenol;2,4-DCP;2,4- Dichlorophenol (2,4-DCP); |
EINECS: | 204-429-6 |
Density: | 1.383 g/cm3 |
Melting Point: | 42-43 °C(lit.) |
Boiling Point: | 85.7 °C at 760 mmHg |
Flash Point: | 10.5 °C |
Solubility: | water: 4.5 g/L (20 °C) |
Appearance: | white to off-white crystalline solid |
Hazard Symbols: | T,N,F |
Risk Codes: | 22-24-34-51/53-39/23/24/25-23/24/25-11 |
Safety: | 26-36/37/39-45-61-36/37-16 |
Transport Information: | UN 2928 6.1/PG 2 |
PSA: | 20.23000 |
LogP: | 2.69900 |
Conditions | Yield |
---|---|
With sulfuryl dichloride; diphenyl sulfide at -10℃; for 6h; Reagent/catalyst; | 99.5% |
With hydrogenchloride; sulfuryl dichloride; diphenyl sulfide; sulfur dioxide; titanium tetrachloride at 60℃; Reagent/catalyst; Temperature; Large scale; | 99.5% |
Stage #1: phenol With aluminum (III) chloride; Dimethyldisulphide at 50℃; for 0.333333h; Stage #2: With chlorine Reagent/catalyst; Temperature; | 99% |
Conditions | Yield |
---|---|
With N-chloro-N-(benzenesulfonyl)benzenesulfonamide In acetonitrile at 20 - 25℃; for 0.25h; Green chemistry; | 99.2% |
With 1,3-dichloro-5,5-dimethylhydantoin; diisopropylamine hydrochloride In toluene at 0℃; for 4h; Darkness; regioselective reaction; | 93% |
Stage #1: 4-chloro-phenol In acetonitrile at 80℃; for 0.166667h; Stage #2: With N-chloro-succinimide In acetonitrile at 80℃; for 8h; regioselective reaction; | 76% |
(2,4-dichlorophenoxy)trimethylsilane
2,4-dichlorophenol
Conditions | Yield |
---|---|
With (Ppyz)Zr(BH4)2Cl2 In diethyl ether for 2h; Heating; | 98% |
With 1,4-diazabicyclo[2.2.2]octane tribromide supported on magnetic Fe3O4 nanoparticles In methanol at 20℃; for 0.0833333h; | 95% |
With caro's acid; silica gel In dichloromethane at 20℃; for 0.666667h; | 90% |
With nano magnetic sulfated zirconia (Fe3O4 at ZrO2/SO42-) In neat (no solvent) at 20℃; for 1.33333h; Green chemistry; | 82% |
2,4-dichlorophenylboronic acid
2,4-dichlorophenol
Conditions | Yield |
---|---|
With urea hydrogen peroxide adduct In methanol at 27 - 29℃; for 0.0833333h; Temperature; Solvent; Green chemistry; chemoselective reaction; | 95% |
With LACTIC ACID; dihydrogen peroxide In water at 20℃; for 0.25h; Reagent/catalyst; Green chemistry; | 93% |
With potassium hydroxide In dimethyl sulfoxide at 100℃; for 0.0833333h; Microwave irradiation; Green chemistry; | 91% |
2-(2,4-Dichlorphenoxy)-3,4,5,6-tetrahydro-2H-pyran
2,4-dichlorophenol
Conditions | Yield |
---|---|
With 1,4-diazabicyclo[2.2.2]octane tribromide supported on magnetic Fe3O4 nanoparticles In methanol at 20℃; for 0.0833333h; | 95% |
Conditions | Yield |
---|---|
With L-Selectride In tetrahydrofuran at 67℃; for 24h; | 93% |
Multi-step reaction with 3 steps 1: Cl2 2: NaI 3: 66 percent / CH2Cl2 / Ambient temperature View Scheme | |
Multi-step reaction with 3 steps 1: Cl2 2: NaI 3: 45 percent / CH2Cl2 / Ambient temperature View Scheme | |
Multi-step reaction with 3 steps 1: Cl2 2: NaI 3: 75 percent / CH2Cl2 / Ambient temperature View Scheme | |
Multi-step reaction with 2 steps 1: Cl2 2: 75 percent / CH2Cl2 / Ambient temperature View Scheme |
Conditions | Yield |
---|---|
With 1-methyl-pyrrolidin-2-one; potassium carbonate; thiophenol for 0.25h; Hydrolysis; debenzoylation; Heating; | 74% |
2,4-dichlorophenol
Conditions | Yield |
---|---|
With 12-TPA/SBA 15 In 1,4-dioxane at 110℃; | 72% |
2,4-dichlorophenol
Conditions | Yield |
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With sodium hydroxide; hydroxylamine hydrochloride In ethanol at 20℃; for 23h; | 69% |
Conditions | Yield |
---|---|
With (difluoroboryl)dimethylglyoximatocobalt(II) bis(acetonitrile); water; 3-cyano-1-methylquinolinium cation In acetonitrile at 20℃; for 5h; Inert atmosphere; Irradiation; Green chemistry; | 69% |
With water; lithium perchlorate; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile for 48h; Irradiation; Inert atmosphere; Electrolysis; chemoselective reaction; | 69% |
With (difluoroboryl)dimethylglyoximatocobalt(II) bis(acetonitrile); water; 3-cyano-1-methylquinolinium perchlorate In acetonitrile at 20℃; for 5h; Inert atmosphere; Irradiation; | |
Multi-step reaction with 3 steps 1: phosphoric acid / 5 h / 50 °C / 4500.45 Torr / Autoclave 2: sodium carbonate; oxygen / 110 °C / 3750.38 Torr 3: macroporous sulfonic acid resin (pore size 1.5mm) / [(2)H6]acetone / 2.5 h / 60 °C View Scheme |
Product Name: 2,4-Dichlorophenol (CAS NO.120-83-2)
Molecular Formula: C6H4Cl2O
Molecular Weight: 163.00g/mol
Mol File: 120-83-2.mol
EINECS: 204-429-6
Melting Point: 42-43 °C(lit.)
Boiling point: 85.7 °C at 760 mmHg
Flash Point: 10.5 °C
Density: 1.619 g/cm3
Index of Refraction: 1.489
Molar Refractivity: 25.74 cm3
Molar Volume: 89.1 cm3
Surface Tension: 44.6 dyne/cm
Enthalpy of Vaporization: 32.6 kJ/mol
Vapour Pressure: 68.6 mmHg at 25°C
XLogP3-AA: 3.1
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of 2,4-Dichlorophenol (CAS NO.120-83-2):
IUPAC Name: 2,4-dichlorophenol
Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)O
InChI: InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey: HFZWRUODUSTPEG-UHFFFAOYSA-N
Product Categories: Aromatic Phenols; Organics; Phenoles and thiophenoles; Analytical Chemistry; Chlorinated Compounds (Environmental Endocrine Disruptors); Environmental Endocrine Disruptors; Chloride chemicals; DIA - DICEPA; Method 552Method Specific; 2000/60/EC; 500 Series Drinking Water Methods; Alpha Sort; D; DAlphabetic; European Community: ISO and DIN; Volatiles/ Semivolatiles; Organic Building Blocks; Oxygen Compounds; Phenols; DIA - DICMethod Specific; Pesticides&Metabolites; Alphabetic
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LDLo | oral | 2gm/kg (2000mg/kg) | Antibiotics Annual. Vol. 7, Pg. 321, 1959/1960. | |
mammal (species unspecified) | LD50 | oral | 464mg/kg (464mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980. | |
mammal (species unspecified) | LD50 | skin | 790mg/kg (790mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980. | |
mouse | LD50 | intraperitoneal | 153mg/kg (153mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975. | |
mouse | LD50 | oral | 1276mg/kg (1276mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Fundamental and Applied Toxicology. Vol. 5, Pg. 478, 1985. |
rabbit | LDLo | skin | 3160mg/kg (3160mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI LIVER: OTHER CHANGES | National Technical Information Service. Vol. OTS0534822, |
rat | LD50 | intraperitoneal | 430mg/kg (430mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 20, 1958. |
rat | LD50 | oral | 47mg/kg (47mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: OTHER CHANGES | National Technical Information Service. Vol. OTS0534822, |
rat | LD50 | subcutaneous | 1730mg/kg (1730mg/kg) | Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 2, Pg. 76, 1943. |
Safety Information of 2,4-Dichlorophenol (CAS NO.120-83-2):
Hazard Codes: T,N,F
Risk Statements: 22-24-34-51/53-39/23/24/25-23/24/25-11
R22:Harmful if swallowed.
R24:Toxic in contact with skin.
R34:Causes burns.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R39:Danger of very serious irreversible effects.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R11:Highly flammable.
Safety Statements: 26-36/37/39-45-61-36/37-16
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S36/37:Wear suitable protective clothing and gloves.
S16:Keep away from sources of ignition.
RIDADR: UN 2928 6.1/PG 2
WGK Germany: 3
RTECS: SK8575000
HazardClass: 6.1
PackingGroup: III
HS Code: 29081000
2,4-Dichlorophenol , its CAS NO. is 120-83-2, the synonyms are 1-Hydroxy-2,4-dichlorobenzene ; 2,4-DCP ; 2,4-Dichlorohydroxybenzene ; Phenol, 2,4-dichloro- .