CAS 1878-66-6|4-Chlorophenylacetic acid

Introduction:Basic information about CAS 1878-66-6|4-Chlorophenylacetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name4-Chlorophenylacetic acid
CAS Number1878-66-6Molecular Weight170.593
Density1.3±0.1 g/cm3Boiling Point294.1±15.0 °C at 760 mmHg
Molecular FormulaC8H7ClO2Melting Point102-105 °C(lit.)
MSDSChineseUSAFlash Point131.7±20.4 °C
Symbol
GHS07
Signal WordWarning

Names

Name4-chlorophenylacetic acid
SynonymMore Synonyms

4-Chlorophenylacetic acid BiologicalActivity

Description4-Chlorophenylacetic acid is a compound belongs to a family of small aromatic fatty acids with anticancer properties. 4-Chlorophenylacetic acid can provide carbon and energy for Pseudomonas sp[1][2].
Related CatalogResearch Areas >>CancerSignaling Pathways >>Others >>OthersResearch Areas >>Metabolic Disease
References

[1]. U Klages, et al. Degradation of 4-chlorophenylacetic Acid by a Pseudomonas Species. J Bacteriol. 1981 Apr;146(1):64-8.

[2]. Neil Sidell, et al. Inhibition of Estrogen-Induced Mammary Tumor Formation in MMTV-aromatase Transgenic Mice by 4-chlorophenylacetate. Cancer Lett. 2007 Jun 28;251(2):302-10.

Chemical & Physical Properties

Density1.3±0.1 g/cm3
Boiling Point294.1±15.0 °C at 760 mmHg
Melting Point102-105 °C(lit.)
Molecular FormulaC8H7ClO2
Molecular Weight170.593
Flash Point131.7±20.4 °C
Exact Mass170.013458
PSA37.30000
LogP2.10
Vapour Pressure0.0±0.7 mmHg at 25°C
Index of Refraction1.570
InChIKeyCDPKJZJVTHSESZ-UHFFFAOYSA-N
SMILESO=C(O)Cc1ccc(Cl)cc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AG0590000
CHEMICAL NAME :
Acetic acid, (p-chlorophenyl)-
CAS REGISTRY NUMBER :
1878-66-6
BEILSTEIN REFERENCE NO. :
1072816
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H7-Cl-O2
MOLECULAR WEIGHT :
170.60
WISWESSER LINE NOTATION :
QV1R DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,286,1958

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH312 + H332
Precautionary StatementsP280
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXn: Harmful;Xi: Irritant;
Risk PhrasesR20/21
Safety PhrasesS36/37-S24/25
RIDADRNONH for all modes of transport
WGK Germany3
RTECSAG0590000
HS Code2916340090

Customs

HS Code2916399090
Summary2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Degradation of 4-chlorophenylacetic acid by a Pseudomonas species.

J. Bacteriol. 146(1) , 64-8, (1981)

Pseudomonas sp. strain CBS3 was able to utilize 4-chlorophenylacetic acid as the sole source of carbon and energy. When this strain was grown with 4-chlorophenylacetic acid, homoprotocatechuic acid wa...

Inhibition of estrogen-induced mammary tumor formation in MMTV-aromatase transgenic mice by 4-chlorophenylacetate.

Cancer Lett. 251(2) , 302-10, (2007)

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Synonyms

EINECS 217-521-6
Acetic acid, 4-chlorophenyl-
(4-Chlorophenyl)acetic acid
4-Chlorobenzeneacetic acid
4-Chlorophenylacetic acid
2-(4-chloro-phenyl)-acetic acid
p-chlorophenylacetate
Acetic acid,(p-chlorophenyl)
4-Cl-phenylacetic acid
p-chlorophenyl acetic acid
Benzeneacetic acid,4-chloro
Benzeneacetic acid, 4-chloro-
2-(4-chlorophenyl)acetic acid
P-CHLOROPHENYLACETIC ACID
2-(p-Chlorophenyl)acetic acid
4-ClPhCH2CO2H
Acetic acid, (p-chlorophenyl)-
MFCD00004344
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