3-Iodo-4-methylbenzoic acid

CAS 82998-57-0IC6H3(CH3)CO2HChemical Synthesis

3-Iodo-4-methylbenzoic acid (CAS: 82998-57-0), with the chemical formula IC6H3(CH3)CO2H and a molecular weight of 262.04 g/mol, is a valuable organic compound. It functions as a key building block in complex organic synthesis. Specifically, it has been employed in the preparation of labelled and unlabelled derivatives used in biochemical research, such as N-succinimidyl 4-guanidinomethyl-3-iodobenzoate (SGIMB).

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3-Iodo-4-methylbenzoic acid (IC6H3(CH3)CO2H) — chemical structure, CAS 82998-57-0; Chemistry, fine chemical supplied by Tech Serve Solutions

Building BlocksCarbonyl CompoundsCarboxylic AcidsChemical Synthesis

01 /Applications

Synthesis of SGIMB

3-Iodo-4-methylbenzoic acid serves as a precursor for the synthesis of unlabeled N-succinimidyl 4-guanidinomethyl-3-iodobenzoate (SGIMB), a reagent utilised in biochemical studies. This application highlights its utility in creating specialised research compounds.

Preparation of Boc-SGMIB

The compound is also instrumental in the preparation of the Boc-protected derivative of SGIMB, known as Boc-SGMIB. This modification allows for controlled reactions and protection strategies in multi-step syntheses within research and development settings.

Organic Synthesis Building Block

As a substituted benzoic acid derivative containing an iodine atom, 3-Iodo-4-methylbenzoic acid is a versatile building block. It can participate in various coupling reactions and functional group transformations, making it useful for constructing complex organic molecules.

02 /Properties

Molecular weight	262.04
Linear formula	IC6H3(CH3)CO2H
Assay	97%
Application	3-Iodo-4-methylbenzoic acid has been used in the preparation of:• unlabeled N-succinimidyl 4-guanidinomethyl-3-iodobenzoate (SGIMB)1• boc-protected derivative of SGIMB (Boc-SGMIB)2
Melting point	210-212 °C(lit.)

03 /Safety & handling

GHS hazard pictogram: Harmful / irritant (GHS07) — Harmful / irritant

Warning

Hazard statements

H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust, fume, gas or vapours
P305IF IN EYES

Protective equipment	dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK, DE)	3
Hazard codes (EU)	Xi
Risk statements (R)	36/37/38
Safety statements (S)	26-37/39

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry

CAS number

82998-57-0

MDL number

MFCD00010392

PubChem substance

24856837

05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 3-Iodo-4-methylbenzoic acid primarily used for?

3-Iodo-4-methylbenzoic acid is primarily used as a building block in organic synthesis, notably in the preparation of biochemical research reagents like SGIMB and Boc-SGMIB.

What are the CAS number and chemical formula for 3-Iodo-4-methylbenzoic acid?

The CAS number is 82998-57-0, and its chemical formula is IC6H3(CH3)CO2H.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies 3-Iodo-4-methylbenzoic acid with an assay of 97%. This is a research-grade material, and TSS does not represent it as USP, BP, or EP.

How should 3-Iodo-4-methylbenzoic acid be handled safely?

This compound is a warning irritant (H315, H319, H335). Handle with appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, and gloves. Ensure good ventilation. Avoid breathing dust and contact with skin and eyes. P-statements include P261 and P305 + P351 + P338.