5-Iodo-2-methylbenzoic acid

Basic Information

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CAS Number

54811-38-0

Molecular Formula

C8H7IO2

Molecular Weight

262.05 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

Physical State

White to Yellow Solid

Melting Point

179.0 to 183.0 deg-C

Boiling Point

339.6°C at 760 mmHg

Density

1.867

Flash Point

159.2 °C

Refractive Index

1.645

SMILES

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CC1=C(C=C(C=C1)I)C(=O)O

InChI

InChI=1S/C8H7IO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey

WUBHOZQZSHGUFI-UHFFFAOYSA-N

LogP

2.29782

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

158

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

5-lodo-2-methylbenzoic acid
TZR47NR9ZG
DS-0278
Benzoic acid, 5-iodo-2-methyl-
5-Iodo-2-Methyl Benzoic Acid
J-517636
EN300-107760
AM20040694
5-Iodo-2-methylbenzoic acid #
DTXSID40347446
SCHEMBL1320693
2-Methyl-5-Iodobenzoic acid
A7965
Benzoic acid, 3-iodo-6-methyl-
CS-D1105
EC 611-200-8
MFCD01570258
SY021476
NS00008043
5-Iodo-2-methylbenzoicacid
AC-1065
FT-0647685
5-Iodo-2-methylbenzoic acid
I0916
BCP08718
54811-38-0
Z1269149718
AKOS005146256
5-Iodo-o-toluic Acid
5-Iod-2-methyl-benzoesaeure
5-Jod-2-methylbenzoesaeure

MDL Number

MFCD01570258

Customs Code

2916399090

FAQ

What is 5-Iodo-2-methylbenzoic acid (CAS: 54811-38-0)?

5-Iodo-2-methylbenzoic acid is an organic compound with the chemical formula C8H8IO2. It is a substituted aromatic carboxylic acid, featuring an iodine atom at the 5-position and a methyl group at the 2-position on a benzene ring. This compound is known for its stability and is commonly used in chemical synthesis due to its reactivity and functional group versatility.

What are the main uses of 5-Iodo-2-methylbenzoic acid (CAS: 54811-38-0)?

5-Iodo-2-methylbenzoic acid is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, materials science, and as an intermediate in the production of various chemical compounds. Its unique structure makes it valuable in creating derivatives with specific biological activities.

Is 5-Iodo-2-methylbenzoic acid (CAS: 54811-38-0) safe?

5-Iodo-2-methylbenzoic acid is generally considered safe when handled properly. However, it should be treated with caution as it may cause irritation to the skin, eyes, or respiratory system. Safety data sheets recommend using appropriate personal protective equipment (PPE) and following standard laboratory safety protocols to minimize exposure and ensure safe handling.

How should 5-Iodo-2-methylbenzoic acid (CAS: 54811-38-0) be stored?

5-Iodo-2-methylbenzoic acid should be stored in a cool, dry, and well-ventilated place, away from direct sunlight. It is best kept in a sealed container to prevent moisture absorption and maintain chemical stability. Storage at temperatures below 25°C is recommended to avoid degradation.