3-Bromophenyl isothiocyanate
3-Bromophenyl isothiocyanate (CAS: 2131-59-1, BrC6H4NCS) is a versatile organic building block with a molecular weight of 214.08 g/mol. This compound is primarily utilised in chemical synthesis, particularly as an intermediate in the creation of complex organic molecules. Its reactive isothiocyanate group makes it valuable for constructing heterocyclic compounds and incorporating sulphur into molecular structures for research and development purposes.
Synthesis of Complex Organic Molecules
3-Bromophenyl isothiocyanate serves as a key precursor in multi-step organic syntheses. It is employed in the construction of novel heterocyclic frameworks, often incorporating sulphur atoms, which are of interest in medicinal chemistry and materials science.
Pharmaceutical Intermediate Research
This compound has been documented in the synthesis of specific pharmaceutical candidates. Its structure allows for the introduction of both a bromophenyl moiety and a thiocarbamoyl linkage, useful in drug discovery programs.
Development of Novel Chemical Entities
Researchers utilise 3-Bromophenyl isothiocyanate to explore new chemical reactions and synthesise novel compounds. Its reactivity profile enables the formation of various linkages and functional groups for diverse chemical applications.
| Molecular weight | 214.08 |
|---|---|
| Linear formula | BrC6H4NCS |
| Assay | 97% |
| Boiling point | 256 °C(lit.) |
| Application | 3-Bromophenyl isothiocyanate has been used in the synthesis of:• (S)-N-[3-{N-(3-bromophenyl)-4-(3-fluorophenyl)piperazine]-1-carbothioamido}-2-oxooxazolidin-5-yl)methyl]acetamide1• (S)-N-[3-{N-(3-bromophenyl)-4-(3-fluorophenyl)piperazine]-1-carboxyamido}-2-oxooxazolidin-5-yl)methyl]acetamide1• (S)-N-[3-{N-(2-bromophenyl)-4-(3-fluorophenyl)piperazine]-1-carboxyamido}-2-oxooxazolidin-5-yl)methyl]acetamide1 |
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 equipment | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| 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.
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.
What is 3-Bromophenyl isothiocyanate used for?
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3-Bromophenyl isothiocyanate is used as a building block in chemical synthesis, particularly for creating complex organic molecules and as an intermediate in pharmaceutical research.
What is the CAS number and molecular formula for 3-Bromophenyl isothiocyanate?
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The CAS number is 2131-59-1 and the molecular formula is BrC6H4NCS.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-Bromophenyl isothiocyanate with a minimum purity of 97%. This product is supplied for research and chemical synthesis purposes and is not represented as USP, EP, or any other pharmacopoeia grade.
How should 3-Bromophenyl isothiocyanate be handled safely?
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3-Bromophenyl isothiocyanate is labelled with Danger. It is harmful if swallowed, in contact with skin, or if inhaled. It also causes skin irritation, serious eye irritation, and may cause respiratory irritation and an allergic skin reaction. Handle with appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, faceshields, and gloves, in a well-ventilated area. Avoid breathing dust/fume/gas/mist/vapours/spray. Wear protective gloves/protective clothing/eye protection/face protection. If inhaled: remove person to fresh air and keep comfortable for breathing. If in eyes: rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Call a POISON CENTER or doctor/physician if you feel unwell.
Can Tech Serve Solutions export 3-Bromophenyl isothiocyanate?
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Yes, Tech Serve Solutions is a global supplier and exporter of fine chemicals, including 3-Bromophenyl isothiocyanate.
How can I request a quote or sample for 3-Bromophenyl isothiocyanate?
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To request a quote or sample, please contact our sales team through the website or by phone, providing the product name and CAS number (2131-59-1).
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