ChemicalBook--->CAS DataBase List--->1878-66-6

1878-66-6

1878-66-6 Structure

1878-66-6 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack Directory
[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
[Toxicity]

mouse,LD50,intraperitoneal,1350mg/kg (1350mg/kg),Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958.
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Fenvalerate-->Esfenvalerate-->brofenvalerate-->6-Chloro-2-tetralone-->VALERATE-->4-Chlorophenethylalcohol-->4-Biphenylacetic acid-->4-Chlorobenzyl chloride-->2-(4-CHLOROPHENYL)INDANE-1,3-DIONE-->4-CARBOXYPHENYLACETIC ACID-->2-(4-Chlorophenyl)-N-Methylacetamide-->4-chloro-alpha-oxo-Benzenepropanenitrile-->5-(4-CHLOROPHENYL)-2-PYRIMIDINETHIOL-->3-Pyrrolidinecarboxylic acid, 3-(4-chlorophenyl)-, methyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

PCPA(1878-66-6).msds
Hazard InformationBack 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.
[Purification Methods]

Purify it as for 3-chlorophenylacetic acid. [Beilstein 9 III 2263, 9 IV 1674.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chlorophenylacetic acid(1878-66-6)MS
4-Chlorophenylacetic acid(1878-66-6)1HNMR
4-Chlorophenylacetic acid(1878-66-6)13CNMR
4-Chlorophenylacetic acid(1878-66-6)IR1
4-Chlorophenylacetic acid(1878-66-6)IR2
4-Chlorophenylacetic acid(1878-66-6)IR3
4-Chlorophenylacetic acid(1878-66-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chlorophenylacetic acid, 98%(1878-66-6)
[Alfa Aesar]

4-Chlorophenylacetic acid, 98%(1878-66-6)
[Sigma Aldrich]

1878-66-6(sigmaaldrich)
[TCI AMERICA]

4-Chlorophenylacetic Acid,>97.0%(T)(1878-66-6)
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