2-Iodo-5-methylbenzoic acid

Basic Information

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CAS Number

52548-14-8

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

Melting Point

122-124°C

Boiling Point

321.4°C at 760 mmHg

Flash Point

148.2℃

SMILES

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

InChI

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

InChIKey

INGWGCDYAJKXKP-UHFFFAOYSA-N

LogP

2.2978199999999998

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

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

Hazard Class

Class LIGHT SENSITIVE Class LIGHT SENSITIVE

Synonyms & References

English

AKOS005254686
Maybridge3_000657
SCHEMBL1421936
2-Iodo-5-methylbenzoic acid, AldrichCPR
2-IODO-5-methyl BENZOIC ACID
A829137
MFCD00079765
NS00032525
CCG-54355
INGWGCDYAJKXKP-UHFFFAOYSA-
5-Methyl-2-iodobenzoic acid
HMS1432N19
FT-0649069
A20384
J-509715
SR-01000643458-1
AM20040629
2-iodo-5--methyl-benzoic acid
2-Iodo-5-methylbenzoic acid
AC-23041
Z979715400
2-Iodo-5-methyl-benzoic acid
52548-14-8
IDI1_012044
CS-W009152
SY017105
CL8050
PS-7357
PB48903
2-iodanyl-5-methyl-benzoic acid
Benzoic acid, 2-iodo-5-methyl-

MDL Number

MFCD00079765

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2-Iodo-5-methylbenzoic acid (CAS: 52548-14-8)?

2-Iodo-5-methylbenzoic acid (CAS: 52548-14-8) is a solid crystalline compound with a molecular weight of approximately 251.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetonitrile. Chemically, it is reactive towards bases and can undergo substitution reactions. It is typically used in organic synthesis and as an intermediate in the development of pharmaceuticals and other materials.

How is 2-Iodo-5-methylbenzoic acid (CAS: 52548-14-8) typically synthesized?

2-Iodo-5-methylbenzoic acid (CAS: 52548-14-8) is typically synthesized through the iodination of 5-methylbenzoic acid using iodine and a Lewis acid catalyst, such as aluminum chloride. The reaction is carried out in an organic solvent like dichloromethane. The yield is generally around 75-85%, and the selectivity towards the iodo-substitution is high.

What industries use 2-Iodo-5-methylbenzoic acid (CAS: 52548-14-8)?

2-Iodo-5-methylbenzoic acid (CAS: 52548-14-8) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It also finds applications in the development of polymers and sensors due to its functional groups. Its reactivity makes it useful in semiconductor manufacturing processes.

What precautions should be taken when handling 2-Iodo-5-methylbenzoic acid (CAS: 52548-14-8)?

When handling 2-Iodo-5-methylbenzoic acid (CAS: 52548-14-8), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and lab coat. The compound should be stored in a cool, dry place away from sources of heat and moisture. Spills should be immediately contained and cleaned up using absorbent materials. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal guidelines.