4-Chlorophenylacetic acid
- CAS NO.：1878-66-6
- Empirical Formula: C8H7ClO2
- Molecular Weight: 170.59
- MDL number: MFCD00004344
- EINECS: 217-521-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is 4-Chlorophenylacetic acid?
Chemical properties
white to cream colored powder
The Uses of 4-Chlorophenylacetic acid
4-Chlorophenylacetic Acid is a chlorinated phenyl acetic acid that is an antitumor differentiation inducer and may be an effective therapeutic agent in neuroblastoma therapy. 4-Chlorophenylacetic Acid shows plant growth-regulating activity.
The Uses of 4-Chlorophenylacetic acid
4-Chlorophenylacetic acid was used to study the mechanism of aerobic degradation of 1,1-dichloro-2,2-bis(4-chlorophenyl)ethane by Ralstonia eutropha A5.
Definition
ChEBI: A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-chlorophenyl group.
General Description
4-Chlorophenylacetic acid possess anticancer properties. It is a novel therapeutic agent which can be useful in prevention or treatment of estrogen-sensitive breast cancer. It acts as carbon and energy supplement and is degraded by Pseudomonas sp. strain CBS3.
Purification Methods
Purify it as for 3-chlorophenylacetic acid. [Beilstein 9 III 2263, 9 IV 1674.]
Properties of 4-Chlorophenylacetic acid
| Melting point: | 102-105 °C(lit.) |
| Boiling point: | 241.44°C (rough estimate) |
| Density | 1.2315 (rough estimate) |
| refractive index | 1.5660 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | ethanol: soluble100mg/mL, clear, faintly yellow |
| form | Powder |
| pka | 4.19(at 25℃) |
| color | White to cream |
| PH | 2.5-3 (100g/l, H2O, 20℃)suspension |
| BRN | 1072816 |
| InChI | InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
| CAS DataBase Reference | 1878-66-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Acetic acid, p-chlorophenyl-(1878-66-6) |
| EPA Substance Registry System | p-Chlorophenylacetic acid (1878-66-6) |
Safety information for 4-Chlorophenylacetic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Chlorophenylacetic acid
| InChIKey | CDPKJZJVTHSESZ-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=C(Cl)C=C1 |
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