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4-Bromophenyl isothiocyanate

CAS 1985-12-2BrC6H4NCSChemical Synthesis

4-Bromophenyl isothiocyanate (CAS: 1985-12-2, Formula: BrC6H4NCS, MW: 214.08) is a key organic building block and a sulfur-containing compound. This chemical serves as a valuable reagent in synthetic organic chemistry, facilitating the creation of complex molecular structures. Its primary utility lies in its role as an intermediate for synthesizing novel heterocyclic compounds, particularly those with potential applications in medicinal chemistry and materials science. Tech Serve Solutions supplies this product with an assay of 97%.

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4-Bromophenyl isothiocyanate (BrC6H4NCS) — chemical structure, CAS 1985-12-2; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisOrganic Building BlocksSulfur CompoundsThiocyanates/Isothiocyanates
01 /Applications

Synthesis of Heterocyclic Compounds

4-Bromophenyl isothiocyanate is employed as a precursor in the synthesis of various heterocyclic scaffolds. For example, it was utilized in the preparation of imidazolidine-2-thione derivatives, contributing to the exploration of novel chemical entities.

Organic Synthesis Intermediate

This compound acts as a versatile intermediate in organic synthesis. Its isothiocyanate functionality readily reacts with nucleophiles, enabling the formation of carbon-nitrogen and carbon-sulfur bonds, crucial for building more elaborate molecular architectures.

Research and Development

As a specialized building block, 4-Bromophenyl isothiocyanate is integral to research and development activities in academic and industrial laboratories. It aids in the discovery and optimization of new chemical processes and the development of potential therapeutic agents.

02 /Properties
Molecular weight214.08
Linear formulaBrC6H4NCS
Assay97%
Application4-Bromophenyl isothiocyanate was used in the synthesis of 1-(4-bromophenyl)-3-ethyl-(1,2-dideoxy-D-glycero-α-D-galacto-heptofurano)[2,1-d]imidazolidine-2-thione1.
Melting point56-58 °C(lit.)
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 equipmentdust mask type N95 (US), Eyeshields, Faceshields, Gloves
Transport (UN / ADR)UN 3335
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38-42
Safety statements (S)22-26-36/37-45

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

04 /Identifiers & registry
CAS number
1985-12-2
MDL number
MFCD00004808
PubChem substance
24856361
Beilstein registry
878549
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-Bromophenyl isothiocyanate used for?

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4-Bromophenyl isothiocyanate is primarily used as a building block in organic synthesis, particularly for the preparation of heterocyclic compounds such as imidazolidine-2-thione derivatives and other sulfur-containing molecules in research and development settings.

What are the CAS number and formula for 4-Bromophenyl isothiocyanate?

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The CAS number for 4-Bromophenyl isothiocyanate is 1985-12-2, and its chemical formula is BrC6H4NCS.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 4-Bromophenyl isothiocyanate with a minimum assay of 97%. This product is supplied for research and laboratory use and is not represented as USP, BP, EP, or any other pharmacopoeial grade.

What are the safety and handling considerations for 4-Bromophenyl isothiocyanate?

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4-Bromophenyl isothiocyanate is classified as dangerous with GHS symbols indicating H302, H312, H315, H319, H332, H334, and H335 hazards (Harmful if swallowed, in contact with skin or if inhaled; Causes skin and serious eye irritation; May cause allergy or asthma symptoms or breathing difficulties if inhaled). Appropriate personal protective equipment, including a dust mask type N95, eyeshields, faceshields, and gloves, must be worn during handling. Ensure adequate ventilation and avoid inhalation of dust.

How is 4-Bromophenyl isothiocyanate packed and exported?

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4-Bromophenyl isothiocyanate is carefully packed according to international shipping regulations for hazardous materials and can be exported globally by Tech Serve Solutions.

How can I request a quote or sample for 4-Bromophenyl isothiocyanate?

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To request a quote or sample of 4-Bromophenyl isothiocyanate, please contact our sales team through the website or by phone, referencing the product name and CAS number 1985-12-2.

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