| Identification | More | [Name]
4-Chlorophenylacetic acid | [CAS]
1878-66-6 | [Synonyms]
4-CHLOROPHENYLACETIC ACID
ASISCHEM D13363
LABOTEST-BB LT00453315
P-CHLOROPHENYLACETIC ACID
PCPA
RARECHEM AL BO 0132
TIMTEC-BB SBB008374
(p-chlorophenyl)-aceticaci
2-(p-Chlorophenyl)acetic acid
2-(p-chlorophenyl)aceticacid
4-Chlorobenzeneacetic acid
4-chloro-benzeneaceticaci
4-chlorobenzeneaceticacid
4-chloro-Benzeneaceticacid
Benzeneacetic acid, 4-chloro-
Benzeneaceticacid,4-chloro-
4-ChlorophenylaceticAcid98%
4-CHOLOROPHENYLACETIC ACID
4-CHLOROPHENYLACETIC ACID 99%
13) PARA CHLORO PHENYL ACETIC ACID | [EINECS(EC#)]
217-521-6 | [Molecular Formula]
C8H7ClO2 | [MDL Number]
MFCD00004344 | [Molecular Weight]
170.59 | [MOL File]
1878-66-6.mol |
| Chemical Properties | Back Directory | [Appearance]
white to cream colored powder | [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 | [Detection Methods]
T,NMR | [BRN ]
1072816 | [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 | [SMILES]
C1(CC(O)=O)=CC=C(Cl)C=C1 | [CAS DataBase Reference]
1878-66-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Acetic acid, p-chlorophenyl-(1878-66-6) | [EPA Substance Registry System]
1878-66-6(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H312+H332-H315-H319 | [Precautionary statements ]
P261-P264-P280-P302+P352+P312-P304+P340+P312-P305+P351+P338 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21:Harmful by inhalation and in contact with skin .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [RTECS ]
AG0590000
| [F ]
13 | [TSCA ]
Yes | [HS Code ]
29163900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Eye Irrit. 2
Skin Irrit. 2 | [Toxicity]
mouse,LD50,intraperitoneal,1350mg/kg (1350mg/kg),Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958. |
| Hazard Information | Back Directory | [Chemical Properties]
white to cream colored powder | [Uses]
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. | [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. | [Synthesis]
4-Chlorophenylacetic acid is produced through the co-metabolic transformation of 4-chlorostyrene in the presence of styrene, trace elements, and salts using Pseudomonas fluorescens ST[1]. | [Purification Methods]
Purify it as for 3-chlorophenylacetic acid. [Beilstein 9 III 2263, 9 IV 1674.] | [References]
[1]Stuhr, A., Hofmann, S., Schlömann, M., & Oelschlägel, M. (2018). Investigation of the co-metabolic transformation of 4-chlorostyrene into 4-chlorophenylacetic acid in Pseudomonas fluorescens ST. Biotechnology Reports, 18, e00248. https://doi.org/10.1016/j.btre.2018.e00248 |
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