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Cas Database |
| Name |
4-Chlorophenylacetic acid |
EINECS | 217-521-6 |
| CAS No. | 1878-66-6 | Density | 1.324 g/cm3 |
| PSA | 37.30000 | LogP | 1.96710 |
| Solubility | N/A | Melting Point |
102-105 °C(lit.) |
| Formula | C8H7ClO2 | Boiling Point | 294.1 °C at 760 mmHg |
| Molecular Weight | 170.595 | Flash Point | 131.7 °C |
| Transport Information | N/A | Appearance | white to cream colored powder |
| Safety | 36/37-24/25-36-26 | Risk Codes | 20/21-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetic acid;2-(p-Chlorophenyl)acetic acid;Acetic acid, (p-chlorophenyl)-;(p-Chloro-phenyl)acetic acid;Benzeneacetic acid, 4-chloro-;2-(4-chlorophenyl)acetate;a-Cyclohexylmandelic acid;p-Chlorophenylacetic acid; |
Article Data | 109 |
4-Chlorophenylacetic acid Synthetic route
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide at 110 - 116℃; under 15001.5 Torr; for 0.05h; Concentration; Pressure; Temperature; Flow reactor; | 99% |
| With 1-butyl-3-methylimidazolium hydrogen sulfate; water at 60 - 65℃; for 1.1h; Green chemistry; | 96% |
| With potassium hydroxide In toluene at 160℃; for 0.5h; microwave irradiation; | 92% |
- 14062-24-9
4-chloro-benzeneacetic acid, ethyl ester
- 1878-66-6
4-chlorophenylacetic Acid
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide In 1,4-dioxane at 60℃; for 2h; pH=10 - 14; | 98% |
| Conditions | Yield |
|---|---|
| With chloro(1,5-cyclooctadiene)rhodium(I) dimer; potassium iodide In formic acid at 60℃; under 760 Torr; for 18h; Carbonylation; | 95% |
| With cobalt(II) pyridine-2-carboxylate; palladium diacetate; sodium hydroxide In methanol at 180℃; under 11251.1 Torr; for 6h; Temperature; Reagent/catalyst; Autoclave; | 95.2% |
| With palladium hydroxide, 20 wt% on carbon; tetrabutylammomium bromide; water In tetrahydrofuran at 110℃; under 7500.75 Torr; for 4h; Sealed tube; Autoclave; | 79% |
| With sodium hydroxide; sodium tetrahydroborate In tetrahydrofuran at 55℃; for 3h; | 78% |
- 89244-19-9, 89244-20-2
N-[(E)-2-(4-Chloro-phenyl)-1-cyano-vinyl]-4,N-dimethyl-benzamide
- 1878-66-6
4-chlorophenylacetic Acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride In tetrahydrofuran for 6h; Heating; | 95% |
- 1878-66-6
4-chlorophenylacetic Acid
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 100℃; for 0.166667h; | 95% |
| With water; hydrogen bromide at 100℃; for 0.166667h; Inert atmosphere; | 95% |
- 1575722-27-8
4-Methoxybenzyl 2-(4-chlorophenyl)acetate
- 1878-66-6
4-chlorophenylacetic Acid
| Conditions | Yield |
|---|---|
| With proton-exchanged montmorillonite In dichloromethane at 20℃; | 95% |
- 19202-19-8
2-(4-chlorophenyl)-1-(pyrrolidin-1-yl)-ethanone
- 1878-66-6
4-chlorophenylacetic Acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane for 30h; Heating; | 94% |
| Conditions | Yield |
|---|---|
| Stage #1: butan-1-ol With cobalt(II) sulfate at 80℃; under 3750.38 Torr; for 4h; Autoclave; Stage #2: 1-Chloro-4-(chloromethyl)benzene With sodium hydroxide In water at 80℃; under 3750.38 Torr; for 24h; Concentration; Pressure; Temperature; Autoclave; | 93.6% |
- 201230-82-2
carbon monoxide
- 62037-06-3
1-chloro-4-(dibromomethyl)benzene
- 1878-66-6
4-chlorophenylacetic Acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide; dicobalt octacarbonyl; N-benzyl-N,N,N-triethylammonium chloride In benzene under 760 Torr; for 8h; Ambient temperature; | 92% |
- 52449-43-1
(4-chloro-phenyl)-acetic acid methyl ester
- 1878-66-6
4-chlorophenylacetic Acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide for 2h; Heating; | 92% |
| With potassium hydroxide In methanol for 4h; Ambient temperature; | 50% |
| With water for 36h; | 50% |
4-Chlorophenylacetic acid Chemical Properties
Molecular Structure of p-Chlorophenylacetic acid (CAS NO.1878-66-6):
.gif)
IUPAC Name: 2-(4-Chlorophenyl)acetic acid
Molecular Formula: C8H7ClO2
Molecular Weight: 170.59
EINECS: 217-521-6
Melting Point: 102-105 °C(lit.)
Index of Refraction: 1.569
Molar Refractivity: 42.26 cm3
Molar Volume: 128.8 cm3
Surface Tension: 49.3 dyne/cm
Density: 1.324 g/cm3
Flash Point: 131.7 °C
Enthalpy of Vaporization: 56.37 kJ/mol
Boiling Point: 294.1 °C at 760 mmHg
Vapour Pressure: 0.000751 mmHg at 25 °C
Water Solubility: 2350 mg/L at 25 °C
Appearance: white to cream colored powder
Classification Code: Drug / Therapeutic Agent
Canonical SMILES: C1=CC(=CC=C1CC(=O)O)Cl
InChI: InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey: CDPKJZJVTHSESZ-UHFFFAOYSA-N
Product Categories: Phenylacetic acid series; FINE Chemical & INTERMEDIATES; Aromatic Phenylacetic Acids and Derivatives; Phenylacetic acid; Organic acids; C8; Carbonyl Compounds; Carboxylic Acids
4-Chlorophenylacetic acid Uses
p-Chlorophenylacetic acid (CAS NO.1878-66-6) is used for pharmaceutical intermediates.
4-Chlorophenylacetic acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1350mg/kg (1350mg/kg) | Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958. |
4-Chlorophenylacetic acid Safety Profile
Safety Information of p-Chlorophenylacetic acid (CAS NO.1878-66-6):
Hazard Codes: 
Xn,
Xi
Risk Statements: 20/21-36/37/38
R20/21:Harmful by inhalation and in contact with skin.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36/37-24/25-36-26
S36/37:Wear suitable protective clothing and gloves.
S24/25:Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: AG0590000
4-Chlorophenylacetic acid Specification
p-Chlorophenylacetic acid (CAS NO.1878-66-6), its Synonyms are (4-Chlorophenyl)acetic acid ; (p-Chlorophenyl)acetic acid ; 2-(p-Chlorophenyl)acetic acid ; 4-Chlorobenzeneacetic acid ; Acetic acid, (p-chlorophenyl)- ; Benzeneacetic acid, 4-chloro- .
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