3,4,5-Trimethoxyphenylacetonitrile

CAS 13338-63-1(CH3O)3C6H2CH2CNChemical Synthesis

3,4,5-Trimethoxyphenylacetonitrile (CAS: 13338-63-1) is an organic compound with the linear formula (CH₃O)₃C₆H₂CH₂CN and a molecular weight of 207.23 g/mol. It serves as a valuable building block in chemical synthesis, particularly within the realm of nitrogen compounds and cyanides/nitriles. This compound has found application as an internal standard in analytical chemistry, specifically for the determination of vancomycin in serum.

IUPAC: 3,4,5-Trimethoxybenzyl cyanide
Synonyms: 13338-63-1(CH3O)3C6H2CH2CN3,4,5-Trimethoxybenzyl cyanide

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3,4,5-Trimethoxyphenylacetonitrile ((CH3O)3C6H2CH2CN) — chemical structure, CAS 13338-63-1; Chemistry, fine chemical supplied by Tech Serve Solutions

Building BlocksC10 to C27Chemical SynthesisCyanides/NitrilesNitrogen Compounds

01 /Applications

Analytical Standard

Used as an internal standard in the quantitative determination of vancomycin levels in serum samples. This application is crucial for therapeutic drug monitoring and ensuring patient safety.

Chemical Synthesis Intermediate

Serves as a key building block in organic synthesis. Its structure, featuring a trimethoxyphenyl group and a nitrile functionality, makes it suitable for constructing more complex molecules.

Research and Development

Utilised in academic and industrial research settings for exploring novel chemical reactions and developing new chemical entities.

02 /Properties

Molecular weight	207.23
Linear formula	(CH3O)3C6H2CH2CN
Assay	97%
Application	3,4,5-Trimethoxyphenylacetonitrile is used as an internal standard during the determination of vancomycin in serum. The method used involved a direct and rapid solvent precipitation of protein1.
Melting point	77-79 °C(lit.)

03 /Safety & handling

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

Warning

Hazard statements

H302Harmful if swallowed
H312Harmful in contact with skin
H332Harmful if inhaled

Precautionary statements

P280Wear protective gloves, clothing and eye/face protection

Protective equipment	dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK, DE)	3
Hazard codes (EU)	Xn
Risk statements (R)	20/21/22
Safety statements (S)	26-36

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

04 /Identifiers & registry

CAS number

13338-63-1

MDL number

MFCD00001912

PubChem substance

24846877

Beilstein registry

2214548

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 3,4,5-Trimethoxyphenylacetonitrile used for?

3,4,5-Trimethoxyphenylacetonitrile is primarily used as an internal standard in analytical procedures, such as the determination of vancomycin in serum. It also functions as a building block in chemical synthesis and for research purposes.

What is the CAS number and chemical formula for 3,4,5-Trimethoxyphenylacetonitrile?

The CAS number is 13338-63-1 and the linear formula is (CH₃O)₃C₆H₂CH₂CN.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies 3,4,5-Trimethoxyphenylacetonitrile with an assay of 97%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade.

How should 3,4,5-Trimethoxyphenylacetonitrile be handled safely?

This compound is harmful if swallowed, in contact with skin, or if inhaled (H302, H312, H332). Handle with appropriate personal protective equipment including eyeshields, gloves, and a dust mask type N95 (US). Ensure good ventilation.