3-Methoxyphenyl isothiocyanate

CAS 3125-64-2CH3OC6H4NCSChemical Synthesis

3-Methoxyphenyl isothiocyanate (CAS: 3125-64-2), with the molecular formula C8H7NOS and a molar mass of 165.21 g/mol, is a valuable organic building block. It is primarily utilised in chemical synthesis as a reactive intermediate. This compound is characterised by its isothiocyanate functional group, which readily participates in various organic transformations. Its applications are centred around its utility in creating more complex molecules within research and development settings.

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3-Methoxyphenyl isothiocyanate (CH3OC6H4NCS) — chemical structure, CAS 3125-64-2; Chemistry, fine chemical supplied by Tech Serve Solutions

Building BlocksChemical SynthesisOrganic Building BlocksSulfur CompoundsThiocyanates/Isothiocyanates

01 /Applications

Chemical Synthesis Intermediate

3-Methoxyphenyl isothiocyanate serves as a key intermediate in organic synthesis. Its reactive nature allows for the introduction of the 3-methoxyphenyl moiety into diverse molecular structures, facilitating the creation of novel compounds.

Research and Development

This compound is frequently employed in R&D laboratories for exploring new synthetic pathways and developing innovative materials or pharmaceutical precursors. Its specific chemical structure lends itself to targeted molecular design.

Building Block for Heterocycles

The isothiocyanate group is a versatile synthon for constructing sulfur- and nitrogen-containing heterocyclic rings, making 3-Methoxyphenyl isothiocyanate a useful precursor in this area of chemistry.

02 /Properties

Molecular weight	165.21
Linear formula	CH3OC6H4NCS
Assay	98%
Boiling point	129 °C/11 mmHg(lit.)
Density	1.179 g/mL at 25 °C(lit.)
Refractive index	n20/D 1.64(lit.)

03 /Safety & handling

GHS hazard pictogram: Toxic (GHS06) — Toxic

Danger

Hazard statements

H301Toxic if swallowed
H317May cause an allergic skin reaction

Precautionary statements

P280Wear protective gloves, clothing and eye/face protection
P301IF SWALLOWED

Protective equipment	Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point	113 °C / 235.4 °F
Transport (UN / ADR)	UN 2206 6.1/PG 3
Water hazard class (WGK, DE)	3
Hazard codes (EU)	Xn
Risk statements (R)	22-43
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

3125-64-2

MDL number

MFCD00040335

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-Methoxyphenyl isothiocyanate used for?

3-Methoxyphenyl isothiocyanate (CAS: 3125-64-2) is used as a building block and intermediate in organic synthesis and chemical research, particularly for constructing more complex molecules and heterocyclic compounds.

What is the CAS number and formula for 3-Methoxyphenyl isothiocyanate?

The CAS number is 3125-64-2 and the linear formula is CH3OC6H4NCS.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies 3-Methoxyphenyl isothiocyanate with an assay of 98%. We do not represent this product as USP, BP, EP, or other pharmacopoeia grades.

What are the main safety hazards associated with 3-Methoxyphenyl isothiocyanate?

This compound is classified under GHS06 with the signal word Danger, indicating significant hazards. It is harmful if swallowed (H301) and may cause an allergic skin reaction (H317). Appropriate personal protective equipment, including eyeshields, gloves, and respiratory protection, is essential.

How is 3-Methoxyphenyl isothiocyanate packed and shipped?

Tech Serve Solutions exports chemicals globally, adhering to strict packaging and shipping regulations for hazardous materials like 3-Methoxyphenyl isothiocyanate (UN 2206).