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3-Methoxybenzyl isocyanate

CAS 57198-56-8CH3OC6H4CH2NCOChemical Synthesis

3-Methoxybenzyl isocyanate (CAS 57198-56-8, CH3OC6H4CH2NCO) is a versatile organic building block with a molecular weight of 163.17 g/mol. This compound is a key intermediate in chemical synthesis, particularly within the realm of nitrogen-containing organic compounds. Its reactive isocyanate group facilitates its use in the preparation of a variety of complex molecules for research and development purposes, serving as a valuable reagent in organic chemistry laboratories.

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3-Methoxybenzyl isocyanate (CH3OC6H4CH2NCO) — chemical structure, CAS 57198-56-8; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Intermediate

3-Methoxybenzyl isocyanate serves as a crucial intermediate in the synthesis of complex organic molecules. Its isocyanate functionality readily reacts with nucleophiles, making it ideal for creating amides, ureas, and carbamates.

Building Block for Specialty Chemicals

This compound is employed as a building block in the development of specialty chemicals. Its structure allows for the introduction of the 3-methoxybenzyl moiety into larger molecular frameworks.

Reagent in Pharmaceutical Research

In pharmaceutical research, 3-Methoxybenzyl isocyanate can be utilised for the synthesis of potential drug candidates. Its reactivity enables the creation of diverse molecular scaffolds for biological screening.

02 /Properties
Molecular weight163.17
Linear formulaCH3OC6H4CH2NCO
Assay97%
Density1.136 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.5320(lit.)
Storage temperature2-8°C
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
Danger

Hazard statements

  • H226Flammable liquid and vapour
  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H332Harmful if inhaled
  • H334May cause allergy or asthma symptoms if inhaled
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
  • P342
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point26 °C / 78.8 °F
Transport (UN / ADR)UN 1993C 3 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)10-20/21/22-36/37/38-42
Safety statements (S)16-23-26-36/37/39-45

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

04 /Identifiers & registry
CAS number
57198-56-8
MDL number
MFCD03427184
PubChem substance
24879185
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-Methoxybenzyl isocyanate used for?

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3-Methoxybenzyl isocyanate is primarily used as a versatile intermediate and building block in organic synthesis, particularly for the preparation of complex molecules, specialty chemicals, and potential pharmaceutical research compounds.

What are the CAS number and molecular formula for 3-Methoxybenzyl isocyanate?

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The CAS number for 3-Methoxybenzyl isocyanate is 57198-56-8, and its molecular formula is CH3OC6H4CH2NCO.

What grade and purity does Tech Serve Solutions supply for 3-Methoxybenzyl isocyanate?

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

How should 3-Methoxybenzyl isocyanate be handled safely?

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Handling requires caution due to flammability (flash point 26 °C) and hazards including skin, eye, and respiratory irritation, and potential sensitisation. Use appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, and handle in a well-ventilated area away from ignition sources.

How is 3-Methoxybenzyl isocyanate packed, shipped, and exported?

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3-Methoxybenzyl isocyanate is shipped according to regulations for flammable liquids (UN 1993, Class 3, PGIII). TSS exports globally, adhering to all necessary international shipping and handling protocols for hazardous materials.

How can I request a sample or quote for 3-Methoxybenzyl isocyanate?

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To request a sample or quote, please contact our sales team through the website or by phone. Provide the product name and CAS number (57198-56-8) for prompt service.

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