(3-Cyanophenoxy)acetic Acid

Basic Information

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CAS Number

1879-58-9

Molecular Formula

C9H7NO3

Molecular Weight

166.18 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 Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

118-123 ºC

Boiling Point

309.06°C (rough estimate)

Flash Point

166.826℃

Refractive Index

1.5200 (estimate)

SMILES

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C1=CC(=CC(=C1)OCC(=O)O)C#N

InChI

InChI=1S/C9H7NO3/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-4H,6H2,(H,11,12)

InChIKey

UXBVJOUILGIGHW-UHFFFAOYSA-N

LogP

1.4584199999999998

pKa

3.03(at 25℃)

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

230

Synonyms & References

English

2-(3-Cyanophenoxy)acetic acid
Acetic acid, 2-(3-cyanophenoxy)-
(3-Cyanophenoxy)acetic Acid
(3-cyano-phenoxy)-acetic acid
3-Cyano-phenoxyessigsaeure
3-Cyan-phenoxyessigsaeure
2-(3-Cyanophenoxy)
PubChem19214
3-cyanophenoxyacetic acid
(3-Cyanophenoxy)aceticAcid
2-(3-cyanophenoxy) acetic acid
UXBVJOUILGIGHW-UHFFFAOYSA-N
4745AJ
TRA0052500
SY008339
Z149252494
2-(3-cyanophenoxy)acetic acid
DB-065627
AKOS000152419
CS-0186064
BAA87958
A880550
2-(3-cyanophenoxy)acetic acid;Acetic acid, 2-(3-cyanophenoxy)-;(3-Cyanophenoxy)acetic Acid
MFCD00516888
EN300-44177
1879-58-9
SCHEMBL3190220
DTXSID60481154
AMY19993
M-CYANOPHENOXYACETIC ACID
AS-31932

MDL Number

MFCD00516888

Customs Code

2926909090

FAQ

What are the physical and chemical properties of (3-Cyanophenoxy)acetic Acid (CAS: 1879-58-9)?

(3-Cyanophenoxy)acetic Acid (CAS: 1879-58-9) is a crystalline solid with a molecular weight of approximately 194.09 g/mol. It is slightly soluble in water and highly soluble in organic solvents like ethanol and acetone. This compound is reactive towards bases and nucleophiles, and it can undergo esterification and substitution reactions.

How is (3-Cyanophenoxy)acetic Acid (CAS: 1879-58-9) typically synthesized?

(3-Cyanophenoxy)acetic Acid (CAS: 1879-58-9) can be synthesized through a series of reactions starting from phenol and chloroacetic acid. The key steps involve the preparation of 3-chlorophenoxyacetic acid followed by the nucleophilic substitution of the chlorine atom with cyanide. This process typically yields a high purity product with good selectivity and yield.

What industries use (3-Cyanophenoxy)acetic Acid (CAS: 1879-58-9)?

(3-Cyanophenoxy)acetic Acid (CAS: 1879-58-9) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of herbicides and fungicides. It also finds applications in the polymer industry for the production of certain types of plastics and in the sensor industry for the development of chemical sensors.

What precautions should be taken when handling (3-Cyanophenoxy)acetic Acid (CAS: 1879-58-9)?

When handling (3-Cyanophenoxy)acetic Acid (CAS: 1879-58-9), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be used in a fume hood to avoid inhalation. In case of a spill, it should be cleaned up carefully according to safety data sheet (SDS) guidelines to prevent skin contact and inhalation. Always follow the recommended safety procedures and consult the SDS for specific instructions.