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4-Bromo-2-fluorophenylisothiocyanate

CAS 81171-71-3BrC6H3(F)NCSChemical Synthesis

4-Bromo-2-fluorophenylisothiocyanate (CAS: 81171-71-3), with the molecular formula BrC6H3(F)NCS and a molecular weight of 232.07 g/mol, is a versatile organic building block. This compound is valuable in chemical synthesis, particularly for introducing the 4-bromo-2-fluorophenyl moiety into target molecules. Its applications span various research and development fields, serving as a key intermediate in the creation of complex organic structures and functional materials.

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4-Bromo-2-fluorophenylisothiocyanate (BrC6H3(F)NCS) — chemical structure, CAS 81171-71-3; Chemistry, fine chemical supplied by Tech Serve Solutions
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01 /Applications

Organic Synthesis Intermediate

Utilised as a key building block in multi-step organic synthesis pathways. Its reactive isothiocyanate group allows for facile derivatization, enabling the formation of heterocycles and complex molecular architectures for drug discovery and materials science.

Pharmaceutical Research

Serves as an intermediate in the synthesis of potential pharmaceutical agents. The presence of bromine and fluorine atoms can influence the pharmacokinetic and pharmacodynamic properties of derived compounds.

Agrochemical Development

A building block for the synthesis of novel agrochemical compounds, where its structural features may contribute to desired pesticidal or herbicidal activities.

Materials Science

Incorporated into the design of functional organic materials. Its unique electronic and structural properties can be leveraged in the development of advanced materials with specific optical or electronic characteristics.

02 /Properties
Molecular weight232.07
Linear formulaBrC6H3(F)NCS
Assay96%
Melting point37-42 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Corrosive (GHS05)
Corrosive
Danger

Hazard statements

  • H314Causes severe skin burns and eye damage

Precautionary statements

  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
  • P310Immediately call a POISON CENTER or doctor
Protective equipmentFaceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
Flash point110 °C / 230 °F
Transport (UN / ADR)UN 1760 8 / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)C
Risk statements (R)34
Safety statements (S)26-27-36/37/39-45

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

04 /Identifiers & registry
CAS number
81171-71-3
MDL number
MFCD02683533
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-Bromo-2-fluorophenylisothiocyanate used for?

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4-Bromo-2-fluorophenylisothiocyanate is used as a versatile building block in organic synthesis, particularly in pharmaceutical research, agrochemical development, and materials science for creating complex organic structures.

What are the CAS number and formula for 4-Bromo-2-fluorophenylisothiocyanate?

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The CAS number is 81171-71-3, and the molecular formula is BrC6H3(F)NCS.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 4-Bromo-2-fluorophenylisothiocyanate with an assay of 96%. TSS does not represent this product as USP, BP, EP, or any other pharmacopoeia grade.

How should 4-Bromo-2-fluorophenylisothiocyanate be handled?

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This compound is classified as Danger (GHS05) and causes severe skin burns and eye damage (H314). Handle with appropriate personal protective equipment, including faceshields, gloves, goggles, and a suitable respirator. Ensure adequate ventilation.

Is 4-Bromo-2-fluorophenylisothiocyanate exported by TSS?

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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, including 4-Bromo-2-fluorophenylisothiocyanate.

How can I request a quote or sample for 4-Bromo-2-fluorophenylisothiocyanate?

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Please contact our sales team via the website or by phone to request a quote or a sample of 4-Bromo-2-fluorophenylisothiocyanate.

Need 4-Bromo-2-fluorophenylisothiocyanate in a specific grade or volume?