2-Phenoxynicotinic acid

Basic Information

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CAS Number

35620-71-4

Molecular Formula

C12H9NO3

Molecular Weight

215.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

179-181 ºC

Boiling Point

355.48°C (rough estimate)

Flash Point

176.7°C

Refractive Index

1.5750 (estimate)

SMILES

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C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C12H9NO3/c14-12(15)10-7-4-8-13-11(10)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)

InChIKey

CQGAXJGXGLVFGJ-UHFFFAOYSA-N

LogP

2.5721

Topological Polar Surface Area

59.42 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

238

Synonyms & References

English

Acide 2-phenoxy nicotinique
35620-71-4
HMS2348O11
3-Pyridinecarboxylic acid, 2-phenoxy-
MFCD00014629
FT-0613293
EN300-18545
2-Phenoxypyridine-3-carboxylic acid
SMR000070279
SDCCGMLS-0023287.P002
MLS000061804
2-Phenoxynicotinic acid, AldrichCPR
J-510237
2-Phenoxynicotinic acid
Maybridge1_000744
CHEMBL1905448
AI-204/31693039
Cambridge id 5832716
Oprea1_256510
UNII-HCB3HEM6WQ
HMS543J18
DTXSID10189097
2-Phenoxy-nicotinic acid
AKOS000122900
HCB3HEM6WQ
Z71177287
CS-0188309
SY004153
SCHEMBL861902
EINECS 252-647-5
NS00029887

MDL Number

MFCD00014629

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Phenoxynicotinic acid (CAS: 35620-71-4)?

2-Phenoxynicotinic acid is a white crystalline solid with a molecular weight of 226.24 g/mol. It has a solubility of about 1.5 g/L in water at 20°C. The compound is moderately reactive, particularly with reducing agents. It is stable in air and light but should be stored in a dry, cool place to avoid moisture and heat.

How is 2-Phenoxynicotinic acid (CAS: 35620-71-4) typically synthesized?

2-Phenoxynicotinic acid is typically synthesized by the condensation of 2-chloronicotinic acid and phenol. The reaction is usually carried out in the presence of a base such as potassium tert-butoxide, with a yield of around 80%. The reaction is exothermic and requires careful temperature control to achieve high selectivity and yield.

What industries use 2-Phenoxynicotinic acid (CAS: 35620-71-4)?

2-Phenoxynicotinic acid is used primarily in the pharmaceutical industry as an intermediate in the synthesis of various organic compounds. It is also utilized in the production of dyes and pigments. Additionally, it has applications in the manufacturing of some types of sensors and as a component in some polymer formulations.

What precautions should be taken when handling 2-Phenoxynicotinic acid (CAS: 35620-71-4)?

When handling 2-Phenoxynicotinic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a cool, dry place, away from heat and moisture. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. A safety data sheet (SDS) should be consulted for specific handling and disposal instructions.