3-Iodo-4-methylbenzonitrile

CAS 42872-79-7IC6H3(CH3)CNChemical Synthesis

3-Iodo-4-methylbenzonitrile (CAS: 42872-79-7) is an organic compound with the formula IC6H3(CH3)CN and a molecular weight of 243.04 g/mol. This iodo-substituted aromatic nitrile serves as a valuable building block in organic synthesis. It is frequently employed in the creation of more complex molecules within the pharmaceutical and chemical research sectors. Its structure allows for various chemical transformations, making it a versatile intermediate.

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3-Iodo-4-methylbenzonitrile (IC6H3(CH3)CN) — chemical structure, CAS 42872-79-7; Chemistry, fine chemical supplied by Tech Serve Solutions

Building BlocksC8 to C9Chemical SynthesisCyanides/NitrilesNitrogen Compounds

01 /Applications

Organic Synthesis Intermediate

3-Iodo-4-methylbenzonitrile is utilised as a key intermediate in multi-step organic synthesis. It is particularly useful for introducing the 4-cyano-2-methylphenyl moiety into target molecules via cross-coupling reactions or nucleophilic substitution.

Pharmaceutical Research

This compound finds application in medicinal chemistry for the development of novel pharmaceutical candidates. Its structural features can be incorporated into potential drug molecules, aiding in structure-activity relationship studies.

Chemical Building Block

As a substituted benzonitrile, it acts as a versatile building block for constructing various organic scaffolds. The presence of the iodine atom allows for facile derivatisation and further functionalisation.

02 /Properties

Molecular weight	243.04
Linear formula	IC6H3(CH3)CN
Assay	97%
Melting point	55-58 °C(lit.)

03 /Safety & handling

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

Warning

Hazard statements

H302Harmful if swallowed
H319Causes serious eye irritation

Precautionary statements

P305IF IN EYES

Protective equipment	dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK, DE)	3
Hazard codes (EU)	Xn
Risk statements (R)	22
Safety statements (S)	36/37

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

04 /Identifiers & registry

CAS number

42872-79-7

MDL number

MFCD06797817

PubChem substance

24883192

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-methylbenzonitrile used for?

3-Iodo-4-methylbenzonitrile is primarily used as a building block and intermediate in organic synthesis, particularly in pharmaceutical research and the development of novel chemical entities.

What is the CAS number and chemical formula for 3-Iodo-4-methylbenzonitrile?

The CAS number is 42872-79-7 and the chemical formula is IC6H3(CH3)CN.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies 3-Iodo-4-methylbenzonitrile with an assay of 97%. We do not represent this product as USP, BP, or EP grade.

What are the safety considerations when handling 3-Iodo-4-methylbenzonitrile?

This compound is classified as harmful if swallowed and causes serious eye irritation (H302, H319). Handle with appropriate personal protective equipment, including eyeshields, gloves, and a dust mask (type N95 or equivalent). Ensure adequate ventilation and avoid dust formation.