3-(2-iodophenyl)propanoic Acid

Basic Information

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CAS Number

96606-95-0

Molecular Formula

C9H9IO2

Molecular Weight

276.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

87-92 °C

Boiling Point

354 ºC

Density

1.775

Flash Point

168 ºC

Refractive Index

1.624

SMILES

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C1=CC=C(C(=C1)CCC(=O)O)I

InChI

InChI=1S/C9H9IO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)

InChIKey

POJTZKMVSQVKNR-UHFFFAOYSA-N

LogP

2.3084000000000007

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

159

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-(2-Iodophenyl)propanoic acid
3-(2-IODOPHENYL)PROPIONIC ACID
Benzenepropanoic acid,2-iodo-
2-Iodobenzenepropanoic acid
Benzenepropanoic acid, 2-iodo-
2-Iodo-benzenepropanoic acid
AK112430
2-iodobenzenepropionic acid
3-(2'-Iodophenyl)propionic acid
POJTZKMVSQVKNR-UHFFFAOYSA-N
3-(2-iodanylphenyl)propanoic acid
3-(2-Iodo-phenyl)-propionic acid
OR6479
SBB068273
6771AC
MB00406
FCH1321240
2-Iodobenzenepropanoic acid (ACI)
3-(2-Iodophenyl)propionic acid
WDA60695
SCHEMBL4336097
SY238889
3-(2-Iodophenyl)propionic acid, 97%
96606-95-0
3-(2-iodophenyl)propanoic Acid
3-(2-Iodophenyl)propanoicacid
CS-0156655
AKOS005216849
s10171
MFCD00040789
DTXSID50371515

MDL Number

MFCD00040789

FAQ

What are the physical and chemical properties of 3-(2-iodophenyl)propanoic Acid (CAS: 96606-95-0)?

3-(2-iodophenyl)propanoic Acid is a white crystalline solid with a molecular weight of approximately 297.03 g/mol. It is slightly soluble in water and soluble in organic solvents like ethanol. This compound exhibits moderate reactivity, particularly towards nucleophiles, and is commonly used in organic synthesis and pharmaceutical applications.

How is 3-(2-iodophenyl)propanoic Acid (CAS: 96606-95-0) typically synthesized?

3-(2-iodophenyl)propanoic Acid is typically synthesized via the reaction of 2-iodophenylacetic acid with sodium hydroxide to form the sodium salt, which is then hydrolyzed to obtain the acid form. This process involves careful temperature control to ensure selectivity and high yield, often using solvent systems to facilitate the reaction.

What industries use 3-(2-iodophenyl)propanoic Acid (CAS: 96606-95-0)?

3-(2-iodophenyl)propanoic Acid is primarily used in the pharmaceutical industry for the synthesis of bioactive compounds and in the chemical industry for the development of functional materials. It also finds applications in the production of sensors and electronic components due to its unique chemical properties.

What precautions should be taken when handling 3-(2-iodophenyl)propanoic Acid (CAS: 96606-95-0)?

When handling 3-(2-iodophenyl)propanoic Acid, it is crucial to use appropriate Personal Protective Equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated environment or a fume hood to minimize exposure. Spills should be cleaned up immediately, and appropriate safety data sheets (SDS) should be consulted for detailed precautionary measures.