5-Hydroxy Diclofenac

Basic Information

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CAS Number

69002-84-2

Molecular Formula

C14H11Cl2NO3

Molecular Weight

312.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

175-178?C

Boiling Point

444.8°C at 760 mmHg

Density

1.520±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

222.8°C

Solubility

Insuluble (9.4E-3 g/L) (25 ºC),

Refractive Index

1.689

SMILES

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C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CC(=O)O)Cl

InChI

InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)

InChIKey

VNQURRWYKFZKJZ-UHFFFAOYSA-N

LogP

4.069700000000002

Topological Polar Surface Area

69.56 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

332

Synonyms & References

English

AKOS028111700
BS-17449
SCHEMBL2738864
2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid
2-[(2,6-Dichlorophenyl)amino]-5-hydroxy-benzeneacetic Acid
GLXC-25671
Acetic acid, (2-(2,6-dichloroanilino)-5-hydroxyphenyl)-
HYDROXYDICLOFENAC, 5-
17-iodoheptadecanoicacid
Benzeneacetic acid,2-[(2,6-dichlorophenyl)amino]-5-hydroxy-
5-Hydroxydiclofenac
(2-(2,6-Dichloroanilino)-5-hydroxyphenyl)acetic acid
DTXSID00219059
2-[(2,6-DICHLOROPHENYL)AMINO]-5-HYDROXYPHENYLACETIC ACID
5-hydroxy diclofenac
CHEMBL1031
BRN 4199419
2-[2-(2,6-dichloroanilino)-5-hydroxyphenyl]acetic acid
Q27126805
5-OH-DCF
2-(2-((2,6-dichlorophenyl)amino)-5-hydroxyphenyl)aceticacid
5-Hydroxydiclofenac, analytical standard
5-HYDROXY-DICLOFENAC
PD064858
5-OH DCF
7ZV
FT-0669357
VNQURRWYKFZKJZ-UHFFFAOYSA-N
69002-84-2
GS38436703
Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-5-hydroxy-

MDL Number

MFCD01672033

FAQ

What are the physical and chemical properties of 5-Hydroxy Diclofenac (CAS: 69002-84-2)?

5-Hydroxy Diclofenac (CAS: 69002-84-2) is a white to off-white crystalline solid with a molecular weight of approximately 270.26 g/mol. It is slightly soluble in water and more soluble in organic solvents. Chemically, it is highly reactive, particularly with bases and reducing agents. It is stable under normal storage conditions but should be protected from moisture and light.

How is 5-Hydroxy Diclofenac (CAS: 69002-84-2) typically synthesized?

5-Hydroxy Diclofenac (CAS: 69002-84-2) is synthesized by the reduction of 2,3-dichlorobenzoic acid with sodium borohydride, followed by acylation and hydroxylation steps. The process is carried out in organic solvents like methanol or ethanol. Catalysts such as sodium hydride are used to improve selectivity and yield. The final product is isolated through recrystallization from suitable solvents.

What industries use 5-Hydroxy Diclofenac (CAS: 69002-84-2)?

5-Hydroxy Diclofenac (CAS: 69002-84-2) is primarily used in the pharmaceutical industry for the development of anti-inflammatory and analgesic drugs. It is also explored in research for its potential use in other applications such as polymer synthesis and sensor technology.

What precautions should be taken when handling 5-Hydroxy Diclofenac (CAS: 69002-84-2)?

When handling 5-Hydroxy Diclofenac (CAS: 69002-84-2), it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated environment or a fume hood. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Refer to the safety data sheet (SDS) for detailed handling and safety information.