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4-(Trifluoromethyl)phenyl isocyanate

CAS 1548-13-6CF3C6H4NCOChemical Synthesis

4-(Trifluoromethyl)phenyl isocyanate (CAS: 1548-13-6, Formula: CF3C6H4NCO) is a chemical building block with a molecular weight of 187.12 g/mol. This organic compound is recognised for its utility in chemical synthesis, particularly in the creation of specialised reagents and sensor molecules. It is supplied by Tech Serve Solutions with an assay of 99%, suitable for research and development applications.

IUPAC
α,α,α-Trifluoro-p-tolyl isocyanate
Synonyms
α,α,α-Trifluoro-p-tolyl isocyanate
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4-(Trifluoromethyl)phenyl isocyanate (CF3C6H4NCO) — chemical structure, CAS 1548-13-6; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Fluorescent Chemosensors

Utilised in the synthesis of fluorescent photoinduced electron transfer (PET) chemosensors, enabling detection through fluorescence modulation. These sensors are critical in analytical chemistry and biochemical research.

Anion Sensors

A key component in the development of amidourea-based sensors for anions, such as 2-ethyl-6-[(4-trifluoromethylphenylcarbamoyl)hydrazino]-benzo[de]isoquinoline-1,3-dione. It also features in 1,8-naphthalimide-based colorimetric and fluorescent sensors for anions.

Organic Synthesis Intermediate

Serves as a versatile intermediate in organic synthesis, facilitating the introduction of the 4-(trifluoromethyl)phenylcarbamoyl group into various molecular structures. Its reactive isocyanate functionality allows for diverse chemical transformations.

02 /Properties
Molecular weight187.12
Linear formulaCF3C6H4NCO
Assay99%
Boiling point58-59 °C/10 mmHg(lit.)
Density1.31 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.474(lit.)
Storage temperature2-8°C
Application4-(Trifluoromethyl)phenyl isocyanate has been used in the synthesis of:• fluorescent photoinduced electron transfer (PET) chemosensors1• 2-ethyl-6-[(4-trifluoromethylphenylcarbamoyl)hydrazino]-benzo[de]iso-quinoline-1,3-dione, an amidourea-based sensor for anions2• 1,8-naphthalimide based colorimetric and fluorescent sensor for anions3
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
Danger

Hazard statements

  • 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 point69 °C / 156.2 °F
Transport (UN / ADR)UN 3382 6.1 / PGI
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38-42
Safety statements (S)26-36/37/39

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

04 /Identifiers & registry
CAS number
1548-13-6
MDL number
MFCD00002028
PubChem substance
24855075
Beilstein registry
881041
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-(Trifluoromethyl)phenyl isocyanate used for?

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4-(Trifluoromethyl)phenyl isocyanate is used in chemical synthesis, particularly for developing fluorescent chemosensors and anion sensors, and acts as a versatile organic building block.

What are the CAS number and chemical formula?

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The CAS number is 1548-13-6 and the chemical formula is CF3C6H4NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 4-(Trifluoromethyl)phenyl isocyanate with an assay of 99%. We do not represent this product as USP, BP, or EP grade.

What are the safety considerations for handling this chemical?

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This compound is dangerous and requires careful handling. It is harmful if swallowed, in contact with skin, or if inhaled. It causes skin irritation, serious eye irritation, and may cause respiratory irritation. It can also cause allergy or asthma symptoms or breathing difficulties if inhaled. Always use appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, and handle in a well-ventilated area.

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

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As a specialist global supplier and exporter, Tech Serve Solutions ensures that 4-(Trifluoromethyl)phenyl isocyanate is appropriately packaged and exported in compliance with all relevant regulations.

How can I request a sample or a quote?

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To request a sample or a quote for 4-(Trifluoromethyl)phenyl isocyanate, please contact our sales team through the website or by phone.

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