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4-(Trifluoromethoxy)phenyl isocyanate

CAS 35037-73-1CF3OC6H4NCOChemical Synthesis

4-(Trifluoromethoxy)phenyl isocyanate (CAS: 35037-73-1), with the molecular formula CF3OC6H4NCO and a molecular weight of 203.12 g/mol, is a valuable organic building block. This isocyanate derivative is primarily used in chemical synthesis, particularly for introducing the 4-(trifluoromethoxy)phenyl group into various molecular structures. Its utility spans research and development applications within the chemical and pharmaceutical industries.

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4-(Trifluoromethoxy)phenyl isocyanate (CF3OC6H4NCO) — chemical structure, CAS 35037-73-1; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Intermediate

Utilised as a key intermediate in the synthesis of complex organic molecules. The isocyanate group readily reacts with nucleophiles, enabling the formation of urea, carbamate, and amide linkages, crucial in building diverse chemical structures.

Pharmaceutical Research

Serves as a building block in the development of potential pharmaceutical agents. The incorporation of the trifluoromethoxy phenyl moiety can influence lipophilicity and metabolic stability of drug candidates.

Material Science

Can be employed in the development of novel polymers and materials, where the trifluoromethoxy group may impart unique thermal or chemical resistance properties.

02 /Properties
Molecular weight203.12
Linear formulaCF3OC6H4NCO
Assay98%
Density1.346 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.458(lit.)
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 point69 °C / 156.2 °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
35037-73-1
MDL number
MFCD00035702
PubChem substance
24861572
Beilstein registry
977669
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-(Trifluoromethoxy)phenyl isocyanate used for?

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4-(Trifluoromethoxy)phenyl isocyanate is primarily used as an intermediate in organic synthesis for creating complex molecules, including in pharmaceutical research and potentially in material science.

What is the CAS number and molecular formula?

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The CAS number is 35037-73-1 and the molecular formula is CF3OC6H4NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 4-(Trifluoromethoxy)phenyl isocyanate with an assay of 98%. We do not represent this product as USP, BP, or EP grade.

How should 4-(Trifluoromethoxy)phenyl isocyanate be handled safely?

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This compound is harmful if swallowed, in contact with skin, or if inhaled, and causes skin, eye, and respiratory irritation. Always use appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator (e.g., type ABEK), and ensure adequate ventilation. Refer to the safety data sheet for comprehensive handling instructions.

Is 4-(Trifluoromethoxy)phenyl isocyanate a controlled substance?

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The provided data does not indicate that 4-(Trifluoromethoxy)phenyl isocyanate is a controlled substance.

How is 4-(Trifluoromethoxy)phenyl isocyanate packed and exported?

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Tech Serve Solutions exports chemicals globally, adhering to all relevant transportation and safety regulations for hazardous materials like UN 2206, Class 6.1. Specific packing details are available upon request.

How can I request a quote or sample?

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To request a quote or sample of 4-(Trifluoromethoxy)phenyl isocyanate, please contact our sales team through the website or via direct inquiry.

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