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4-Fluorophenyl isocyanate

CAS 1195-45-5FC6H4NCOChemical Synthesis

4-Fluorophenyl isocyanate (CAS: 1195-45-5), with the molecular formula FC6H4NCO and a molecular weight of 137.11 g/mol, is a reactive organic compound. It is recognised for its utility as a building block in chemical synthesis, particularly within the realm of fluorinated organic compounds. This isocyanate derivative is valuable for introducing the 4-fluorophenyl moiety into various molecular structures, finding applications in research and development settings.

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4-Fluorophenyl isocyanate (FC6H4NCO) — chemical structure, CAS 1195-45-5; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisFluorinated Building BlocksIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Intermediate

4-Fluorophenyl isocyanate serves as a key intermediate in the synthesis of complex organic molecules. Its reactive isocyanate group readily participates in addition reactions, enabling the formation of ureas, carbamates, and other functional groups.

Pharmaceutical Research

This compound is employed in the development of novel pharmaceutical candidates. The incorporation of a fluorinated phenyl ring can influence a drug molecule's pharmacokinetic and pharmacodynamic properties.

Materials Science

It can be utilised in the creation of specialised polymers and materials. The fluorophenyl group may impart unique thermal, chemical, or physical characteristics to the resulting materials.

Agrochemical Development

4-Fluorophenyl isocyanate can be a precursor in the synthesis of potential agrochemical agents. Its structure lends itself to building molecules with targeted biological activity for crop protection.

02 /Properties
Molecular weight137.11
Linear formulaFC6H4NCO
Assay99%
Boiling point55 °C/8 mmHg(lit.)
Density1.206 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.5141(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
  • H317May cause an allergic skin reaction
  • H319Causes serious eye irritation
  • H332Harmful if inhaled
  • H334May cause allergy or asthma symptoms if inhaled

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 point53 °C / 127.4 °F
Transport (UN / ADR)UN 3080 6.1/PG 2
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36-42
Safety statements (S)23-26-36/37

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

04 /Identifiers & registry
CAS number
1195-45-5
MDL number
MFCD00002023
PubChem substance
24894767
Beilstein registry
471609
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-Fluorophenyl isocyanate used for?

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4-Fluorophenyl isocyanate is primarily used as a building block in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and novel materials. Its reactive isocyanate group allows for the introduction of the 4-fluorophenyl moiety into various molecular structures.

What is the CAS number and molecular formula for 4-Fluorophenyl isocyanate?

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The CAS number for 4-Fluorophenyl isocyanate is 1195-45-5, and its molecular formula is FC6H4NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 4-Fluorophenyl isocyanate with a minimum assay of 99%. We do not represent this product as USP, BP, or EP grade.

How should 4-Fluorophenyl isocyanate be handled safely?

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4-Fluorophenyl isocyanate is a hazardous substance. It is flammable and harmful if swallowed, inhaled, or absorbed through the skin. It can cause skin irritation, serious eye irritation, and respiratory sensitisation. Always handle with appropriate personal protective equipment, including gloves, eye protection, and respiratory protection, in a well-ventilated area. Consult the Safety Data Sheet (SDS) for detailed handling information.

How is 4-Fluorophenyl isocyanate packed and shipped?

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4-Fluorophenyl isocyanate is typically packed in appropriate containers suitable for hazardous and flammable liquids. It is shipped in compliance with relevant international regulations for dangerous goods. TSS is a specialist global supplier and exporter.

How can I request a quote or sample for 4-Fluorophenyl isocyanate?

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To request a quote or a sample of 4-Fluorophenyl isocyanate, please contact our sales department through the website or by phone. Our team will be pleased to assist you with your inquiry.

Need 4-Fluorophenyl isocyanate in a specific grade or volume?