ChemicalBook--->CAS DataBase List--->5728-52-9

5728-52-9

5728-52-9 Structure

5728-52-9 Structure
IdentificationMore
[Name]

4-Biphenylacetic acid
[CAS]

5728-52-9
[Synonyms]

[1,1'-BIPHENYL]-4-ACETIC ACID
4-BIPHENYLACETIC ACID
4-CARBOXYMETHYLBIPHENYL
4-PHENYLPHENYLACETIC ACID
BIPHENYL-4-ACETIC ACID
CI 83544
FELBINAC
P-BIPHENYLACETIC ACID
RARECHEM AL BO 0343
4-Diphenylacetic Acid
Felbinac(4-BiphenylaceticAcid)
4-Biphenylaceticacid,98+%
4-BIPHENYLYLACETIC ACID
P-BIPHENYLYLACETIC ACID
4-BIPHENYLACETICABID
Biphenyl-4-acetic acid 97%
4-Biphenylacetic acid/Felbinac
4-BIPHENYLACETIC ACID 99% BP GRADE
4-BIPHENYL ACETIC ACID 98.5%
4-BIPHENYLACETIC ACID(METHOXYMETHYL)-1,1''-BIPHENYL
[EINECS(EC#)]

227-233-2
[Molecular Formula]

C14H12O2
[MDL Number]

MFCD00004351
[Molecular Weight]

212.24
[MOL File]

5728-52-9.mol
Chemical PropertiesBack Directory
[Appearance]

Off-white powder
[Melting point ]

159-160 °C (lit.)
[Boiling point ]

312.08°C (rough estimate)
[density ]

1.1035 (rough estimate)
[refractive index ]

1.6000 (estimate)
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble50mg/mL, clear, colorless to yellow
[form ]

Powder
[pka]

4.29±0.10(Predicted)
[color ]

Beige
[Water Solubility ]

39.27mg/L(25 ºC)
[Detection Methods]

T,NMR
[Merck ]

14,3951
[BRN ]

1211592
[InChI]

InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
[InChIKey]

QRZAKQDHEVVFRX-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=CC=C2)=CC=C(CC(O)=O)C=C1
[CAS DataBase Reference]

5728-52-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301+H331-H315-H319-H335
[Precautionary statements ]

P261-P264-P301+P310-P302+P352-P304+P340+P311-P305+P351+P338
[Hazard Codes ]

T,Xn
[Risk Statements ]

R23/25:Toxic by inhalation and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R25:Toxic if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
S20:When using, do not eat or drink .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

DU8229050
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29163900
[Toxicity]

LD50 orally in rats: 164 mg/kg (Sloboda, Osterberg)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Biphenylacetic acid(5728-52-9).msds
Hazard InformationBack Directory
[Description]

Felbinac Is the active metabolite of the non-steroidal antiinflammatory agent, fenbufen. Applied topically as a gel to joints, it is useful in the symptomatic relief of articular inflammation and pain.
[Chemical Properties]

Off-white powder
[Originator]

Lederle (USA)
[Uses]

4-Biphenylacetic acid was used in the synthesis of gastrosparing non-steroidal antiinflammatory drug.
[Uses]

Anti-inflammatory, analgesic drug.
[Definition]

ChEBI:Biphenyl-4-ylacetic acid is a monocarboxylic acid in which one of the alpha-hydrogens is substituted by a biphenyl-4-yl group. An active metabolite of fenbufen, it is used as a topical medicine to treat muscle inflammation and arthritis. It has a role as a non-steroidal anti-inflammatory drug. It is a member of biphenyls and a monocarboxylic acid. It contains a biphenyl-4-yl group. It is functionally related to an acetic acid.
[Brand name]

Dolinac (Wyeth-Ayerst); Flexfree(Wyeth-Ayerst); Napageln (Wyeth-Ayerst); Target (Wyeth-Ayerst); Traxam (Wyeth-Ayerst).
[General Description]

4-Biphenylacetic acid is a potential non-steroidal antiinflammatory agent and forms solid inclusion complex with β-cyclodextrin. 4-Biphenylacetic acid on interaction with quinolone antibacterial agents induces functional blockade of the γ-aminobutyric acid receptors.
[Safety Profile]

Poison by subcutaneous route.Moderately toxic by ingestion and intraperitoneal routes.An experimental teratogen. Other experimentalreproductive effects. When heated to decomposition itemits acrid smoke and fumes.
[Synthesis]

First 4-aminophenylacetic acid is prepared by reducing 4-nitrophenylacetic acid in the presence of a palladium-carbon catalyst; 4-Biphenylacetic acid is finally prepared by reacting 4-aminophenylacetic acid with benzene in the presence of sodium nitrite and an acid.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

4-Biphenylacetic acid(5728-52-9)MS
4-Biphenylacetic acid(5728-52-9)1HNMR
4-Biphenylacetic acid(5728-52-9)13CNMR
4-Biphenylacetic acid(5728-52-9)IR1
4-Biphenylacetic acid(5728-52-9)IR2
4-Biphenylacetic acid(5728-52-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Biphenylacetic acid, 98%(5728-52-9)
[Alfa Aesar]

4-Biphenylacetic acid, 98%(5728-52-9)
[Sigma Aldrich]

5728-52-9(sigmaaldrich)
[TCI AMERICA]

4-Biphenylacetic Acid,>97.0%(T)(5728-52-9)
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