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4-(Difluoromethoxy)phenyl isocyanate

CAS 58417-15-5F2CHOC6H4NCOChemical Synthesis

4-(Difluoromethoxy)phenyl isocyanate (CAS: 58417-15-5) is an organic compound with the linear formula F₂CHOC₆H₄NCO and a molecular weight of 185.13 g/mol. As a fluorinated building block and isocyanate, it serves as a valuable intermediate in organic synthesis. Its difluoromethyl group and reactive isocyanate functionality make it suitable for introducing these specific chemical motifs into more complex molecular structures, particularly in research and development settings.

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4-(Difluoromethoxy)phenyl isocyanate (F2CHOC6H4NCO) — chemical structure, CAS 58417-15-5; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisDifluoromethylFluorinated Building BlocksIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Intermediate

This compound is used as a versatile building block in the synthesis of various organic molecules. The isocyanate group readily reacts with nucleophiles like alcohols, amines, and thiols to form carbamates, ureas, and thiocarbamates, respectively.

Fluorinated Compound Development

Its difluoromethoxy moiety makes it an attractive starting material for the development of novel fluorinated compounds. These are often explored for their unique properties in pharmaceuticals, agrochemicals, and materials science.

Chemical Research and Development

It is employed in academic and industrial research laboratories for the creation of new chemical entities and the exploration of reaction pathways involving isocyanates and fluorinated functionalities.

02 /Properties
Molecular weight185.13
Linear formulaF2CHOC6H4NCO
Assay98%
Boiling point209 °C(lit.)
Density1.323 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.495(lit.)
Storage temperature−20°C
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H332Harmful 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
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point102 °C / 215.6 °F
Transport (UN / ADR)UN 2206 6.1/PG 3
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38
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
58417-15-5
MDL number
MFCD00673056
PubChem substance
24872260
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 4-(Difluoromethoxy)phenyl isocyanate used for?

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4-(Difluoromethoxy)phenyl isocyanate is primarily used as an intermediate in organic synthesis and for the development of novel fluorinated compounds. It is valuable in chemical research for creating new molecules.

What are the CAS number and formula for 4-(Difluoromethoxy)phenyl isocyanate?

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The CAS number is 58417-15-5, and its linear formula is F₂CHOC₆H₄NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 4-(Difluoromethoxy)phenyl isocyanate with an assay of 98%. This product is not represented as USP, BP, or EP grade.

What are the safety considerations when handling 4-(Difluoromethoxy)phenyl isocyanate?

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This compound is classified with GHS07 signal word 'Warning' and hazards including H302, H312, H315, H319, H332, and H335. Appropriate personal protective equipment such as eyeshields, face shields, gloves, and suitable respirators must be used. Consult the Safety Data Sheet for full details.

How is 4-(Difluoromethoxy)phenyl isocyanate packed and shipped?

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Tech Serve Solutions exports chemicals globally. Specific packing and shipping details are provided upon request, adhering to all relevant transportation regulations for hazardous materials like UN 2206.

How can I request a sample or a quote for 4-(Difluoromethoxy)phenyl isocyanate?

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To request a sample or a quote, please contact our sales department through the provided channels on the Tech Serve Solutions website, specifying the product and quantity required.

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